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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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/3Q50-efac0504/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3Q50-efac0504/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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -117.102757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.102757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.102757 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.679
local terms energy: -64.389027
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -119.886228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.886228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.886228 (E_RNA)
where:
Base-Base interactions energy: -48.293
where: short stacking energy: -34.363
Base-Backbone interact. energy: -1.684
local terms energy: -69.908318
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -212.041384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.041384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.041384 (E_RNA)
where:
Base-Base interactions energy: -118.988
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.239
local terms energy: -92.814560
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -10.887
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -173.386801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.386801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.386801 (E_RNA)
where:
Base-Base interactions energy: -84.243
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.173
local terms energy: -88.971291
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -15.941
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -183.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790221 (E_RNA)
where:
Base-Base interactions energy: -104.654
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.060
local terms energy: -79.076213
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -0.039
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: 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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -102.439252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.439252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.439252 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -31.699
Base-Backbone interact. energy: -1.705
local terms energy: -61.565464
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -215.824371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.824371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.824371 (E_RNA)
where:
Base-Base interactions energy: -115.029
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.206
local terms energy: -100.588591
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -11.775
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: 6
Temperature: 1.150000
Total energy: -242.276513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.276513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.276513 (E_RNA)
where:
Base-Base interactions energy: -151.001
where: short stacking energy: -78.118
Base-Backbone interact. energy: -0.307
local terms energy: -90.968451
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -209.859247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.859247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.859247 (E_RNA)
where:
Base-Base interactions energy: -131.598
where: short stacking energy: -66.668
Base-Backbone interact. energy: 0.425
local terms energy: -78.685925
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -13.327
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: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -201.822062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.822062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.822062 (E_RNA)
where:
Base-Base interactions energy: -118.544
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.535
local terms energy: -82.743601
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -13.438
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: 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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -111.769106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.769106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.769106 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -36.965
Base-Backbone interact. energy: 0.148
local terms energy: -71.535346
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -231.064280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.064280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.064280 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.361
local terms energy: -92.536981
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 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: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -230.034132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034132 (E_RNA)
where:
Base-Base interactions energy: -143.298
where: short stacking energy: -67.590
Base-Backbone interact. energy: 2.047
local terms energy: -88.783267
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -237.187557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.187557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.187557 (E_RNA)
where:
Base-Base interactions energy: -144.500
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.307
local terms energy: -92.380938
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -211.162955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.162955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.162955 (E_RNA)
where:
Base-Base interactions energy: -131.075
where: short stacking energy: -65.667
Base-Backbone interact. energy: -2.002
local terms energy: -78.085887
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.924
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: 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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -99.333554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.333554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.333554 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.378
local terms energy: -62.945092
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: 5.048
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: 8
Temperature: 0.900000
Total energy: -297.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.689620 (E_RNA)
where:
Base-Base interactions energy: -186.587
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.142
local terms energy: -110.960385
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -27.422
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: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -260.293802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.293802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.293802 (E_RNA)
where:
Base-Base interactions energy: -149.896
where: short stacking energy: -82.025
Base-Backbone interact. energy: 0.309
local terms energy: -110.706611
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -227.538643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538643 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.123
local terms energy: -101.189347
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -16.641
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: 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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -261.908443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.908443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.908443 (E_RNA)
where:
Base-Base interactions energy: -164.907
where: short stacking energy: -80.252
Base-Backbone interact. energy: -0.424
local terms energy: -96.577770
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 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: 2
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -229.487899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.487899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.487899 (E_RNA)
where:
Base-Base interactions energy: -135.027
where: short stacking energy: -64.864
Base-Backbone interact. energy: 0.038
local terms energy: -94.498170
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -205.827294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.827294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.827294 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -67.853
Base-Backbone interact. energy: 1.266
local terms energy: -81.449525
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -12.907
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -113.543877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.543877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.543877 (E_RNA)
where:
Base-Base interactions energy: -31.102
where: short stacking energy: -29.998
Base-Backbone interact. energy: 1.563
local terms energy: -84.005484
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -298.594456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.594456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.594456 (E_RNA)
where:
Base-Base interactions energy: -179.716
where: short stacking energy: -100.444
Base-Backbone interact. energy: -0.029
local terms energy: -118.848644
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -28.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -265.474767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.474767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.474767 (E_RNA)
where:
Base-Base interactions energy: -158.334
where: short stacking energy: -81.780
Base-Backbone interact. energy: -0.216
local terms energy: -106.924447
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -15.907
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: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -255.617855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.617855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.617855 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -76.695
Base-Backbone interact. energy: -0.598
local terms energy: -106.791030
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -290.226359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.226359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.226359 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.043
local terms energy: -105.970061
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -238.680995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680995 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.992
local terms energy: -95.820162
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -245.016624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016624 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.018
local terms energy: -91.576812
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -116.077513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.077513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.077513 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.171
local terms energy: -75.458012
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -270.172516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.172516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.172516 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.217
local terms energy: -117.194540
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -284.628206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.628206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.628206 (E_RNA)
where:
Base-Base interactions energy: -185.502
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.260
local terms energy: -98.866563
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -16.562
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: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -293.445710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.445710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.445710 (E_RNA)
where:
Base-Base interactions energy: -186.195
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.100
local terms energy: -107.150851
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -258.407635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.407635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.407635 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -77.789
Base-Backbone interact. energy: -0.938
local terms energy: -102.157241
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -22.411
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: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -272.561458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.561458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.561458 (E_RNA)
where:
Base-Base interactions energy: -173.971
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.410
local terms energy: -98.180318
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -190.020160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020160 (E_RNA)
where:
Base-Base interactions energy: -103.216
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.015
local terms energy: -86.789017
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -243.978591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.978591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.978591 (E_RNA)
where:
Base-Base interactions energy: -149.826
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.149
local terms energy: -94.003326
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -9.644
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: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -146.814395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.814395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.814395 (E_RNA)
where:
Base-Base interactions energy: -67.058
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.389
local terms energy: -79.367101
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -1.458
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -121.662614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.662614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.662614 (E_RNA)
where:
Base-Base interactions energy: -44.495
where: short stacking energy: -25.665
Base-Backbone interact. energy: 0.337
local terms energy: -77.504906
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -112.300056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.300056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.300056 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.475
local terms energy: -69.414406
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -259.575130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.575130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.575130 (E_RNA)
where:
Base-Base interactions energy: -155.530
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.306
local terms energy: -103.739332
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -301.676323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.676323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.676323 (E_RNA)
where:
Base-Base interactions energy: -189.330
where: short stacking energy: -93.451
Base-Backbone interact. energy: -0.096
local terms energy: -112.250311
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -27.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -291.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.105830 (E_RNA)
where:
Base-Base interactions energy: -194.328
where: short stacking energy: -90.351
Base-Backbone interact. energy: 0.457
local terms energy: -97.234834
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -25.103
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: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -268.784992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.784992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.784992 (E_RNA)
where:
Base-Base interactions energy: -155.075
where: short stacking energy: -94.636
Base-Backbone interact. energy: -0.227
local terms energy: -113.482462
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -33.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -271.189387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.189387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.189387 (E_RNA)
where:
Base-Base interactions energy: -180.513
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.930
local terms energy: -89.746447
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -275.912416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.912416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.912416 (E_RNA)
where:
Base-Base interactions energy: -184.559
where: short stacking energy: -93.724
Base-Backbone interact. energy: -0.128
local terms energy: -91.224945
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -23.337
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: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -181.676907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.676907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.676907 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -59.925
Base-Backbone interact. energy: 2.540
local terms energy: -83.881622
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.095
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -145.105982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.105982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.105982 (E_RNA)
where:
Base-Base interactions energy: -67.027
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.424
local terms energy: -77.655232
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -114.424637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.424637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.424637 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -39.004
Base-Backbone interact. energy: -0.061
local terms energy: -71.163207
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -5.924
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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -111.504487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.504487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.504487 (E_RNA)
where:
Base-Base interactions energy: -46.942
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.538
local terms energy: -64.024337
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -273.574268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.574268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.574268 (E_RNA)
where:
Base-Base interactions energy: -163.296
where: short stacking energy: -85.207
Base-Backbone interact. energy: 0.670
local terms energy: -110.948341
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -25.009
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: 10
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -296.632251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.632251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.632251 (E_RNA)
where:
Base-Base interactions energy: -190.957
where: short stacking energy: -91.783
Base-Backbone interact. energy: -0.072
local terms energy: -105.603077
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -26.603
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: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -293.013362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.013362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.013362 (E_RNA)
where:
Base-Base interactions energy: -190.157
where: short stacking energy: -82.279
Base-Backbone interact. energy: -0.747
local terms energy: -102.109005
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -251.395234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.395234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.395234 (E_RNA)
where:
Base-Base interactions energy: -154.334
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.236
local terms energy: -96.824825
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -280.238345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.238345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.238345 (E_RNA)
where:
Base-Base interactions energy: -178.129
where: short stacking energy: -87.248
Base-Backbone interact. energy: 0.184
local terms energy: -102.293221
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -287.484734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.484734 (E_RNA)
where:
Base-Base interactions energy: -180.938
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.653
local terms energy: -105.894195
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -30.152
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: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -174.981788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.981788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.981788 (E_RNA)
where:
Base-Base interactions energy: -88.631
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.064
local terms energy: -86.286539
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -150.458490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.458490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.458490 (E_RNA)
where:
Base-Base interactions energy: -81.277
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.176
local terms energy: -69.005425
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -113.919076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.919076 (E_RNA)
where:
Base-Base interactions energy: -54.238
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.294
local terms energy: -59.386850
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -14.130
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: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -108.751915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.751915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.751915 (E_RNA)
where:
Base-Base interactions energy: -54.111
where: short stacking energy: -40.639
Base-Backbone interact. energy: 0.457
local terms energy: -55.098115
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -283.970285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.970285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.970285 (E_RNA)
where:
Base-Base interactions energy: -176.415
where: short stacking energy: -90.003
Base-Backbone interact. energy: -0.139
local terms energy: -107.416273
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -304.971673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.971673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.971673 (E_RNA)
where:
Base-Base interactions energy: -191.504
where: short stacking energy: -99.218
Base-Backbone interact. energy: -0.051
local terms energy: -113.416745
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -31.598
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -293.776323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.776323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.776323 (E_RNA)
where:
Base-Base interactions energy: -197.621
where: short stacking energy: -85.743
Base-Backbone interact. energy: -4.135
local terms energy: -92.020322
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -270.198501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.198501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.198501 (E_RNA)
where:
Base-Base interactions energy: -165.042
where: short stacking energy: -94.353
Base-Backbone interact. energy: -0.022
local terms energy: -105.134477
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -27.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -270.261262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.261262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.261262 (E_RNA)
where:
Base-Base interactions energy: -174.253
where: short stacking energy: -89.570
Base-Backbone interact. energy: -0.093
local terms energy: -95.914662
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -268.458688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.458688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.458688 (E_RNA)
where:
Base-Base interactions energy: -178.286
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.661
local terms energy: -89.512576
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -195.152758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.152758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.152758 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.003
local terms energy: -93.768196
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -9.332
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: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -142.293052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.293052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.293052 (E_RNA)
where:
Base-Base interactions energy: -68.005
where: short stacking energy: -35.216
Base-Backbone interact. energy: -2.521
local terms energy: -71.766717
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -125.911534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.911534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.911534 (E_RNA)
where:
Base-Base interactions energy: -61.921
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.285
local terms energy: -63.705654
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -105.075604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.075604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.075604 (E_RNA)
where:
Base-Base interactions energy: -39.689
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.387
local terms energy: -64.999311
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -313.216853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.216853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.216853 (E_RNA)
where:
Base-Base interactions energy: -204.861
where: short stacking energy: -116.017
Base-Backbone interact. energy: -0.736
local terms energy: -107.619364
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -28.953
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -261.725781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.725781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.725781 (E_RNA)
where:
Base-Base interactions energy: -152.142
where: short stacking energy: -77.239
Base-Backbone interact. energy: -0.103
local terms energy: -109.479982
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -21.802
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: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -267.955000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.955000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.955000 (E_RNA)
where:
Base-Base interactions energy: -158.559
where: short stacking energy: -86.327
Base-Backbone interact. energy: -0.445
local terms energy: -108.950929
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -19.964
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: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -252.878739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.878739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.878739 (E_RNA)
where:
Base-Base interactions energy: -162.768
where: short stacking energy: -71.823
Base-Backbone interact. energy: -0.040
local terms energy: -90.070913
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -270.079308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.079308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.079308 (E_RNA)
where:
Base-Base interactions energy: -173.953
where: short stacking energy: -84.943
Base-Backbone interact. energy: -1.799
local terms energy: -94.327129
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -19.620
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: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -286.018978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.018978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.018978 (E_RNA)
where:
Base-Base interactions energy: -186.150
where: short stacking energy: -84.533
Base-Backbone interact. energy: 0.554
local terms energy: -100.423370
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -27.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -172.672831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.672831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.672831 (E_RNA)
where:
Base-Base interactions energy: -99.293
where: short stacking energy: -42.703
Base-Backbone interact. energy: 0.317
local terms energy: -73.696260
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -2.010
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: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -189.694864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.694864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.694864 (E_RNA)
where:
Base-Base interactions energy: -95.662
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.039
local terms energy: -93.993989
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -14.727
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: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -122.877953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.877953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.877953 (E_RNA)
where:
Base-Base interactions energy: -52.962
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.306
local terms energy: -69.610536
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -2.916
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: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -116.623131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.623131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.623131 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.293
local terms energy: -74.681379
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -5.265
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: 1, replica: 10
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -316.596387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.596387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.596387 (E_RNA)
where:
Base-Base interactions energy: -202.994
where: short stacking energy: -96.946
Base-Backbone interact. energy: -0.169
local terms energy: -113.433368
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -264.146962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.146962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.146962 (E_RNA)
where:
Base-Base interactions energy: -160.965
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.160
local terms energy: -103.022488
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -253.000439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.000439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.000439 (E_RNA)
where:
Base-Base interactions energy: -146.277
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.009
local terms energy: -106.714245
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -23.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -276.788147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.788147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.788147 (E_RNA)
where:
Base-Base interactions energy: -175.953
where: short stacking energy: -83.740
Base-Backbone interact. energy: -0.206
local terms energy: -100.629609
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -19.199
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -234.932085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.932085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.932085 (E_RNA)
where:
Base-Base interactions energy: -137.015
where: short stacking energy: -67.171
Base-Backbone interact. energy: 1.345
local terms energy: -99.262234
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -15.974
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: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -263.904095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.904095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.904095 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -81.486
Base-Backbone interact. energy: -0.040
local terms energy: -104.779603
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -169.152193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.152193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.152193 (E_RNA)
where:
Base-Base interactions energy: -86.730
where: short stacking energy: -45.979
Base-Backbone interact. energy: -0.033
local terms energy: -82.389344
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -171.229085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.229085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.229085 (E_RNA)
where:
Base-Base interactions energy: -93.377
where: short stacking energy: -42.651
Base-Backbone interact. energy: -0.143
local terms energy: -77.709979
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -112.226040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.226040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.226040 (E_RNA)
where:
Base-Base interactions energy: -52.415
where: short stacking energy: -43.799
Base-Backbone interact. energy: 0.731
local terms energy: -60.542277
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -0.682
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: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -107.380063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.380063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.380063 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -39.895
Base-Backbone interact. energy: -1.291
local terms energy: -65.018928
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -4.376
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: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -303.690197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.690197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.690197 (E_RNA)
where:
Base-Base interactions energy: -198.111
where: short stacking energy: -89.764
Base-Backbone interact. energy: -0.611
local terms energy: -104.968925
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -16.728
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: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -259.231309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.231309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.231309 (E_RNA)
where:
Base-Base interactions energy: -157.826
where: short stacking energy: -79.050
Base-Backbone interact. energy: 0.236
local terms energy: -101.641174
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -247.685049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.685049 (E_RNA)
where:
Base-Base interactions energy: -156.346
where: short stacking energy: -72.046
Base-Backbone interact. energy: 0.486
local terms energy: -91.825114
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -278.348998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.348998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.348998 (E_RNA)
where:
Base-Base interactions energy: -180.911
where: short stacking energy: -80.123
Base-Backbone interact. energy: 0.967
local terms energy: -98.405458
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -18.290
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: 16
Temperature: 1.100000
Total energy: -280.667354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.667354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.667354 (E_RNA)
where:
Base-Base interactions energy: -184.687
where: short stacking energy: -80.150
Base-Backbone interact. energy: -0.320
local terms energy: -95.660205
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -15.785
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -266.427571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.427571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.427571 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -82.648
Base-Backbone interact. energy: -0.244
local terms energy: -102.598847
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -24.595
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: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -167.254406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.254406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.254406 (E_RNA)
where:
Base-Base interactions energy: -89.167
where: short stacking energy: -54.166
Base-Backbone interact. energy: -0.222
local terms energy: -77.866114
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -166.368255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.368255 (E_RNA)
where:
Base-Base interactions energy: -91.122
where: short stacking energy: -47.547
Base-Backbone interact. energy: -0.653
local terms energy: -74.593345
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -179.483613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.483613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.483613 (E_RNA)
where:
Base-Base interactions energy: -94.275
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.312
local terms energy: -84.896623
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -107.048159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.048159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.048159 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -29.502
Base-Backbone interact. energy: -1.809
local terms energy: -66.003416
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -306.189456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.189456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.189456 (E_RNA)
where:
Base-Base interactions energy: -202.447
where: short stacking energy: -86.435
Base-Backbone interact. energy: -0.362
local terms energy: -103.379623
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -21.046
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -265.416573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.416573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.416573 (E_RNA)
where:
Base-Base interactions energy: -171.976
where: short stacking energy: -85.013
Base-Backbone interact. energy: -0.124
local terms energy: -93.316383
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -278.122736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.122736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.122736 (E_RNA)
where:
Base-Base interactions energy: -170.178
where: short stacking energy: -76.904
Base-Backbone interact. energy: -0.391
local terms energy: -107.553563
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -17.799
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: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -286.073135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.073135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.073135 (E_RNA)
where:
Base-Base interactions energy: -189.177
where: short stacking energy: -87.404
Base-Backbone interact. energy: 0.258
local terms energy: -97.154257
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -26.895
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: 17
Temperature: 1.100000
Total energy: -261.600485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.600485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.600485 (E_RNA)
where:
Base-Base interactions energy: -166.110
where: short stacking energy: -73.199
Base-Backbone interact. energy: 1.149
local terms energy: -96.640052
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -259.180784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.180784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.180784 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.498
local terms energy: -100.459006
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -167.697529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.697529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.697529 (E_RNA)
where:
Base-Base interactions energy: -93.016
where: short stacking energy: -31.278
Base-Backbone interact. energy: -0.386
local terms energy: -74.295424
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -9.473
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: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -174.269853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.269853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.269853 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.116
local terms energy: -78.647728
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -129.538701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.538701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.538701 (E_RNA)
where:
Base-Base interactions energy: -55.874
where: short stacking energy: -48.284
Base-Backbone interact. energy: -1.822
local terms energy: -71.842577
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -134.759395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.759395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.759395 (E_RNA)
where:
Base-Base interactions energy: -63.555
where: short stacking energy: -35.025
Base-Backbone interact. energy: 0.163
local terms energy: -71.367450
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -324.193304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.193304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.193304 (E_RNA)
where:
Base-Base interactions energy: -215.786
where: short stacking energy: -96.138
Base-Backbone interact. energy: -0.687
local terms energy: -107.720917
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -12.027
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: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -274.905191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.905191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.905191 (E_RNA)
where:
Base-Base interactions energy: -173.326
where: short stacking energy: -81.722
Base-Backbone interact. energy: -0.366
local terms energy: -101.213451
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -310.609013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.609013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.609013 (E_RNA)
where:
Base-Base interactions energy: -201.996
where: short stacking energy: -95.404
Base-Backbone interact. energy: -0.184
local terms energy: -108.428948
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -283.638583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.638583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.638583 (E_RNA)
where:
Base-Base interactions energy: -181.652
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.165
local terms energy: -101.822259
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -274.262799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.262799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.262799 (E_RNA)
where:
Base-Base interactions energy: -172.353
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.205
local terms energy: -101.704457
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -15.629
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: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -225.745019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745019 (E_RNA)
where:
Base-Base interactions energy: -136.205
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.429
local terms energy: -89.110715
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.511
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: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -204.071752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.071752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.071752 (E_RNA)
where:
Base-Base interactions energy: -116.599
where: short stacking energy: -64.157
Base-Backbone interact. energy: 0.057
local terms energy: -87.530289
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -6.939
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: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -170.308529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.308529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.308529 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -47.870
Base-Backbone interact. energy: -0.633
local terms energy: -76.907950
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -106.662013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.662013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.662013 (E_RNA)
where:
Base-Base interactions energy: -26.692
where: short stacking energy: -26.227
Base-Backbone interact. energy: 0.016
local terms energy: -79.985625
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -3.006
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -106.759750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.759750 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.906
local terms energy: -73.493278
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -315.269282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.269282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.269282 (E_RNA)
where:
Base-Base interactions energy: -202.399
where: short stacking energy: -92.265
Base-Backbone interact. energy: -0.765
local terms energy: -112.104869
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -303.896619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.896619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.896619 (E_RNA)
where:
Base-Base interactions energy: -200.233
where: short stacking energy: -85.280
Base-Backbone interact. energy: 1.270
local terms energy: -104.933044
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -16.466
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: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -255.456345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.456345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.456345 (E_RNA)
where:
Base-Base interactions energy: -162.704
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.679
local terms energy: -92.072767
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -263.342918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.342918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.342918 (E_RNA)
where:
Base-Base interactions energy: -172.022
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.349
local terms energy: -90.971836
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -17.038
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: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -270.852646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.852646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.852646 (E_RNA)
where:
Base-Base interactions energy: -172.141
where: short stacking energy: -78.866
Base-Backbone interact. energy: 1.917
local terms energy: -100.628768
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -268.652300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.652300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.652300 (E_RNA)
where:
Base-Base interactions energy: -176.562
where: short stacking energy: -94.036
Base-Backbone interact. energy: -0.119
local terms energy: -91.971490
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -24.040
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: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -227.367605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.367605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.367605 (E_RNA)
where:
Base-Base interactions energy: -126.741
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.228
local terms energy: -100.398041
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -9.683
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: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -173.041939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.041939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041939 (E_RNA)
where:
Base-Base interactions energy: -86.640
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.201
local terms energy: -86.201435
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -115.829991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.829991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.829991 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.286
local terms energy: -71.752129
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -1.986
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -112.263239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.263239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.263239 (E_RNA)
where:
Base-Base interactions energy: -43.790
where: short stacking energy: -43.790
Base-Backbone interact. energy: 0.066
local terms energy: -68.539524
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -332.064587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.064587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.064587 (E_RNA)
where:
Base-Base interactions energy: -215.986
where: short stacking energy: -93.461
Base-Backbone interact. energy: -0.002
local terms energy: -116.076486
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -312.915058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.915058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.915058 (E_RNA)
where:
Base-Base interactions energy: -200.507
where: short stacking energy: -93.056
Base-Backbone interact. energy: -0.123
local terms energy: -112.285589
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -285.025271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.025271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.025271 (E_RNA)
where:
Base-Base interactions energy: -185.338
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.836
local terms energy: -98.851983
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -16.274
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -248.258997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.258997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.258997 (E_RNA)
where:
Base-Base interactions energy: -151.376
where: short stacking energy: -81.691
Base-Backbone interact. energy: -0.243
local terms energy: -96.639973
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -284.778866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.778866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.778866 (E_RNA)
where:
Base-Base interactions energy: -183.094
where: short stacking energy: -84.713
Base-Backbone interact. energy: -0.157
local terms energy: -101.527309
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -253.525763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.525763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.525763 (E_RNA)
where:
Base-Base interactions energy: -160.968
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.594
local terms energy: -91.963442
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -19.179
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: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -213.548801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.548801 (E_RNA)
where:
Base-Base interactions energy: -134.114
where: short stacking energy: -58.773
Base-Backbone interact. energy: 0.506
local terms energy: -79.940861
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -178.016470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.016470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.016470 (E_RNA)
where:
Base-Base interactions energy: -93.853
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.839
local terms energy: -83.325162
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -114.542110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.542110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.542110 (E_RNA)
where:
Base-Base interactions energy: -44.520
where: short stacking energy: -37.759
Base-Backbone interact. energy: 0.996
local terms energy: -71.018027
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -115.058161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.058161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.058161 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -37.700
Base-Backbone interact. energy: -0.088
local terms energy: -76.599847
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -347.686241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.686241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.686241 (E_RNA)
where:
Base-Base interactions energy: -233.645
where: short stacking energy: -107.078
Base-Backbone interact. energy: -0.176
local terms energy: -113.865464
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -30.566
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: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -312.583809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.583809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.583809 (E_RNA)
where:
Base-Base interactions energy: -205.645
where: short stacking energy: -95.898
Base-Backbone interact. energy: -0.119
local terms energy: -106.820493
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -24.267
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: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -292.105481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.105481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.105481 (E_RNA)
where:
Base-Base interactions energy: -188.650
where: short stacking energy: -91.325
Base-Backbone interact. energy: -0.105
local terms energy: -103.350745
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -281.860924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.860924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.860924 (E_RNA)
where:
Base-Base interactions energy: -177.787
where: short stacking energy: -83.047
Base-Backbone interact. energy: -0.222
local terms energy: -103.852495
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -25.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -241.882118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.882118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.882118 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -82.648
Base-Backbone interact. energy: 0.452
local terms energy: -102.167533
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -23.393
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -249.482801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.482801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.482801 (E_RNA)
where:
Base-Base interactions energy: -156.250
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.854
local terms energy: -92.378843
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -17.311
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -205.518203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.518203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.518203 (E_RNA)
where:
Base-Base interactions energy: -117.268
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.274
local terms energy: -87.976304
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -161.678739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.678739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.678739 (E_RNA)
where:
Base-Base interactions energy: -80.733
where: short stacking energy: -44.525
Base-Backbone interact. energy: -0.172
local terms energy: -80.773834
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -184.977979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.977979 (E_RNA)
where:
Base-Base interactions energy: -115.273
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.298
local terms energy: -69.406873
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -3.406
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -113.669851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.669851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.669851 (E_RNA)
where:
Base-Base interactions energy: -49.782
where: short stacking energy: -38.865
Base-Backbone interact. energy: 1.173
local terms energy: -65.061165
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -344.972943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.972943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.972943 (E_RNA)
where:
Base-Base interactions energy: -228.792
where: short stacking energy: -107.275
Base-Backbone interact. energy: 0.096
local terms energy: -116.276745
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -289.149536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.149536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.149536 (E_RNA)
where:
Base-Base interactions energy: -176.555
where: short stacking energy: -81.687
Base-Backbone interact. energy: -0.024
local terms energy: -112.570358
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -27.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -299.808520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.808520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.808520 (E_RNA)
where:
Base-Base interactions energy: -194.105
where: short stacking energy: -83.392
Base-Backbone interact. energy: -0.129
local terms energy: -105.574565
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -276.220163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.220163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.220163 (E_RNA)
where:
Base-Base interactions energy: -178.517
where: short stacking energy: -88.492
Base-Backbone interact. energy: -0.067
local terms energy: -97.636098
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -260.669009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.669009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.669009 (E_RNA)
where:
Base-Base interactions energy: -158.855
where: short stacking energy: -78.299
Base-Backbone interact. energy: -0.487
local terms energy: -101.327677
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -243.490008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.490008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.490008 (E_RNA)
where:
Base-Base interactions energy: -141.195
where: short stacking energy: -78.615
Base-Backbone interact. energy: -0.209
local terms energy: -102.086379
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -29.321
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: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -210.757229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.757229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.757229 (E_RNA)
where:
Base-Base interactions energy: -122.184
where: short stacking energy: -51.253
Base-Backbone interact. energy: 0.220
local terms energy: -88.792698
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -144.037869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.037869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.037869 (E_RNA)
where:
Base-Base interactions energy: -65.220
where: short stacking energy: -43.228
Base-Backbone interact. energy: -0.470
local terms energy: -78.347817
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -3.461
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: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -202.317613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.317613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.317613 (E_RNA)
where:
Base-Base interactions energy: -126.516
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.095
local terms energy: -75.707054
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -105.032731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032731 (E_RNA)
where:
Base-Base interactions energy: -53.579
where: short stacking energy: -28.700
Base-Backbone interact. energy: 0.250
local terms energy: -51.704091
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: 3.935
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: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -339.069605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.069605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.069605 (E_RNA)
where:
Base-Base interactions energy: -220.218
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.532
local terms energy: -118.320079
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -18.443
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: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -310.064126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.064126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.064126 (E_RNA)
where:
Base-Base interactions energy: -200.764
where: short stacking energy: -105.895
Base-Backbone interact. energy: -1.287
local terms energy: -108.012274
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -28.988
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -303.371742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.371742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.371742 (E_RNA)
where:
Base-Base interactions energy: -198.473
where: short stacking energy: -94.177
Base-Backbone interact. energy: -0.093
local terms energy: -104.806049
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -25.737
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: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -287.470120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.470120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.470120 (E_RNA)
where:
Base-Base interactions energy: -183.098
where: short stacking energy: -77.583
Base-Backbone interact. energy: -0.265
local terms energy: -104.106576
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -237.864988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.864988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.864988 (E_RNA)
where:
Base-Base interactions energy: -134.892
where: short stacking energy: -65.697
Base-Backbone interact. energy: -0.535
local terms energy: -102.437357
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -256.354787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.354787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.354787 (E_RNA)
where:
Base-Base interactions energy: -168.886
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.295
local terms energy: -87.173266
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.537
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: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -221.891749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.891749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.891749 (E_RNA)
where:
Base-Base interactions energy: -129.868
where: short stacking energy: -67.529
Base-Backbone interact. energy: -0.043
local terms energy: -91.981015
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -9.815
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -233.409747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.409747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409747 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -72.812
Base-Backbone interact. energy: -1.287
local terms energy: -77.703021
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -112.865138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.865138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.865138 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -36.944
Base-Backbone interact. energy: -1.114
local terms energy: -69.406959
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -113.232046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.232046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.232046 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.758
local terms energy: -65.733643
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -2.027
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: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -317.306205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.306205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.306205 (E_RNA)
where:
Base-Base interactions energy: -200.343
where: short stacking energy: -113.069
Base-Backbone interact. energy: -0.003
local terms energy: -116.960244
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -333.326865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.326865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.326865 (E_RNA)
where:
Base-Base interactions energy: -227.780
where: short stacking energy: -90.729
Base-Backbone interact. energy: -0.101
local terms energy: -105.445630
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -17.087
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -290.878082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.878082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.878082 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -92.158
Base-Backbone interact. energy: 0.419
local terms energy: -109.665270
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -15.956
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: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -278.646386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.646386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.646386 (E_RNA)
where:
Base-Base interactions energy: -179.341
where: short stacking energy: -86.157
Base-Backbone interact. energy: -0.087
local terms energy: -99.217769
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -249.686438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.686438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.686438 (E_RNA)
where:
Base-Base interactions energy: -153.752
where: short stacking energy: -76.968
Base-Backbone interact. energy: -0.148
local terms energy: -95.786637
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -229.041322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.041322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.041322 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.185
local terms energy: -90.337592
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -255.762875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.762875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.762875 (E_RNA)
where:
Base-Base interactions energy: -158.903
where: short stacking energy: -76.854
Base-Backbone interact. energy: -0.108
local terms energy: -96.751436
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -207.096998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.096998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.096998 (E_RNA)
where:
Base-Base interactions energy: -119.765
where: short stacking energy: -56.602
Base-Backbone interact. energy: -0.170
local terms energy: -87.162573
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -108.229223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.229223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.229223 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.472
local terms energy: -64.559544
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -99.899022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.899022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.899022 (E_RNA)
where:
Base-Base interactions energy: -43.068
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.110
local terms energy: -56.720252
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -328.163432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.163432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.163432 (E_RNA)
where:
Base-Base interactions energy: -202.815
where: short stacking energy: -112.322
Base-Backbone interact. energy: -0.000
local terms energy: -125.348175
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -17.626
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: 25
Temperature: 0.950000
Total energy: -321.953432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.953432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.953432 (E_RNA)
where:
Base-Base interactions energy: -219.752
where: short stacking energy: -105.777
Base-Backbone interact. energy: -0.176
local terms energy: -102.025420
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -299.723016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.723016 (E_RNA)
where:
Base-Base interactions energy: -197.346
where: short stacking energy: -94.609
Base-Backbone interact. energy: -0.577
local terms energy: -101.799807
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -280.999996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.999996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.999996 (E_RNA)
where:
Base-Base interactions energy: -179.295
where: short stacking energy: -86.842
Base-Backbone interact. energy: -0.427
local terms energy: -101.277705
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -22.013
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: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -250.685691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.685691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.685691 (E_RNA)
where:
Base-Base interactions energy: -148.397
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.087
local terms energy: -102.201507
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -273.156657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.156657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.156657 (E_RNA)
where:
Base-Base interactions energy: -181.353
where: short stacking energy: -78.004
Base-Backbone interact. energy: -0.370
local terms energy: -91.433195
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -19.517
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: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -232.728874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.728874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.728874 (E_RNA)
where:
Base-Base interactions energy: -131.089
where: short stacking energy: -71.041
Base-Backbone interact. energy: -0.093
local terms energy: -101.547163
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -227.443103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443103 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -61.002
Base-Backbone interact. energy: 0.248
local terms energy: -82.293601
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -4.815
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: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -179.209618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.209618 (E_RNA)
where:
Base-Base interactions energy: -104.377
where: short stacking energy: -54.214
Base-Backbone interact. energy: 0.674
local terms energy: -75.506351
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -109.962467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.962467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.962467 (E_RNA)
where:
Base-Base interactions energy: -35.355
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.198
local terms energy: -74.410320
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -340.948841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.948841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.948841 (E_RNA)
where:
Base-Base interactions energy: -228.080
where: short stacking energy: -107.716
Base-Backbone interact. energy: -0.768
local terms energy: -112.101226
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -28.284
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: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -310.419493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.419493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.419493 (E_RNA)
where:
Base-Base interactions energy: -197.890
where: short stacking energy: -93.761
Base-Backbone interact. energy: 0.060
local terms energy: -112.589003
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -289.969922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.969922 (E_RNA)
where:
Base-Base interactions energy: -187.909
where: short stacking energy: -81.441
Base-Backbone interact. energy: 4.456
local terms energy: -106.517057
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -18.697
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: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -286.759352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.759352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.759352 (E_RNA)
where:
Base-Base interactions energy: -191.228
where: short stacking energy: -86.159
Base-Backbone interact. energy: -0.192
local terms energy: -95.339559
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -274.145497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.145497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.145497 (E_RNA)
where:
Base-Base interactions energy: -172.218
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.422
local terms energy: -101.505851
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -14.685
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: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -237.434188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.434188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.434188 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -68.741
Base-Backbone interact. energy: -0.795
local terms energy: -96.637306
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -20.352
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: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -253.662376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.662376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.662376 (E_RNA)
where:
Base-Base interactions energy: -165.054
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.145
local terms energy: -88.463544
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -201.177638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.177638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.177638 (E_RNA)
where:
Base-Base interactions energy: -114.365
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.300
local terms energy: -86.513141
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -3.684
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: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -143.361478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.361478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.361478 (E_RNA)
where:
Base-Base interactions energy: -87.198
where: short stacking energy: -44.329
Base-Backbone interact. energy: 0.445
local terms energy: -56.608897
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -103.517192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.517192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.517192 (E_RNA)
where:
Base-Base interactions energy: -30.329
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.278
local terms energy: -72.910578
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -330.194802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.194802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.194802 (E_RNA)
where:
Base-Base interactions energy: -225.092
where: short stacking energy: -90.116
Base-Backbone interact. energy: -0.043
local terms energy: -105.059665
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -23.912
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: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -311.028199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.028199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.028199 (E_RNA)
where:
Base-Base interactions energy: -193.444
where: short stacking energy: -105.317
Base-Backbone interact. energy: -0.125
local terms energy: -117.458744
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -308.146255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.146255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.146255 (E_RNA)
where:
Base-Base interactions energy: -197.875
where: short stacking energy: -98.632
Base-Backbone interact. energy: -0.294
local terms energy: -109.977778
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -290.167023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.167023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.167023 (E_RNA)
where:
Base-Base interactions energy: -184.026
where: short stacking energy: -84.636
Base-Backbone interact. energy: -0.804
local terms energy: -105.336879
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -14.931
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: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -282.009789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.009789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.009789 (E_RNA)
where:
Base-Base interactions energy: -187.344
where: short stacking energy: -89.347
Base-Backbone interact. energy: -0.309
local terms energy: -94.357030
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -17.276
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: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -258.317915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.317915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.317915 (E_RNA)
where:
Base-Base interactions energy: -159.388
where: short stacking energy: -78.716
Base-Backbone interact. energy: -0.163
local terms energy: -98.767319
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -13.787
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: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -220.718775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718775 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.165
local terms energy: -76.996148
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -220.929167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.929167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.929167 (E_RNA)
where:
Base-Base interactions energy: -141.311
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.104
local terms energy: -79.513687
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -6.255
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: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -113.129931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.129931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.129931 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -26.907
Base-Backbone interact. energy: 0.464
local terms energy: -62.621317
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: 2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -121.501790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.501790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.501790 (E_RNA)
where:
Base-Base interactions energy: -49.864
where: short stacking energy: -39.383
Base-Backbone interact. energy: 0.286
local terms energy: -71.923733
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -6.763
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: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -334.751783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.751783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.751783 (E_RNA)
where:
Base-Base interactions energy: -229.467
where: short stacking energy: -86.578
Base-Backbone interact. energy: -0.188
local terms energy: -105.096852
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -316.374769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.374769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.374769 (E_RNA)
where:
Base-Base interactions energy: -197.302
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.035
local terms energy: -119.037901
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -305.626154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.626154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.626154 (E_RNA)
where:
Base-Base interactions energy: -204.406
where: short stacking energy: -89.996
Base-Backbone interact. energy: -0.221
local terms energy: -100.999065
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -299.885621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.885621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.885621 (E_RNA)
where:
Base-Base interactions energy: -191.883
where: short stacking energy: -93.543
Base-Backbone interact. energy: 0.704
local terms energy: -108.706357
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -16.857
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -278.816196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.816196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.816196 (E_RNA)
where:
Base-Base interactions energy: -183.199
where: short stacking energy: -87.201
Base-Backbone interact. energy: -0.168
local terms energy: -95.448857
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -21.402
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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -270.334693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.334693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.334693 (E_RNA)
where:
Base-Base interactions energy: -166.800
where: short stacking energy: -81.137
Base-Backbone interact. energy: -0.555
local terms energy: -102.979417
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -263.126647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.126647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.126647 (E_RNA)
where:
Base-Base interactions energy: -181.204
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.170
local terms energy: -81.752696
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -13.349
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -213.089180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089180 (E_RNA)
where:
Base-Base interactions energy: -134.218
where: short stacking energy: -59.542
Base-Backbone interact. energy: -1.608
local terms energy: -77.263109
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -116.685203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.685203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.685203 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.222
local terms energy: -76.716200
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -117.140916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.140916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.140916 (E_RNA)
where:
Base-Base interactions energy: -49.722
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.570
local terms energy: -66.848233
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -3.074
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: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -341.425814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.425814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.425814 (E_RNA)
where:
Base-Base interactions energy: -231.898
where: short stacking energy: -100.037
Base-Backbone interact. energy: -0.284
local terms energy: -109.243312
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -25.371
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -332.656301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.656301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.656301 (E_RNA)
where:
Base-Base interactions energy: -208.040
where: short stacking energy: -94.118
Base-Backbone interact. energy: -0.019
local terms energy: -124.597276
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -28.271
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: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -294.394618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.394618 (E_RNA)
where:
Base-Base interactions energy: -185.793
where: short stacking energy: -95.869
Base-Backbone interact. energy: -0.121
local terms energy: -108.480232
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -27.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -289.021269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.021269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.021269 (E_RNA)
where:
Base-Base interactions energy: -184.123
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.099
local terms energy: -104.798958
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -17.238
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -285.806478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.806478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.806478 (E_RNA)
where:
Base-Base interactions energy: -197.895
where: short stacking energy: -73.481
Base-Backbone interact. energy: -0.695
local terms energy: -87.216368
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -273.446947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.446947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.446947 (E_RNA)
where:
Base-Base interactions energy: -178.245
where: short stacking energy: -75.445
Base-Backbone interact. energy: 0.411
local terms energy: -95.613050
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -270.616694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.616694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.616694 (E_RNA)
where:
Base-Base interactions energy: -175.427
where: short stacking energy: -88.678
Base-Backbone interact. energy: -0.761
local terms energy: -94.429122
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -129.281045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.281045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.281045 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.235
local terms energy: -70.209567
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -124.039409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.039409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.039409 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -39.219
Base-Backbone interact. energy: -0.144
local terms energy: -83.105803
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -11.751
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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -107.633336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.633336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.633336 (E_RNA)
where:
Base-Base interactions energy: -47.150
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.529
local terms energy: -59.954627
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -0.351
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: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -326.590020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.590020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.590020 (E_RNA)
where:
Base-Base interactions energy: -203.860
where: short stacking energy: -92.723
Base-Backbone interact. energy: -0.021
local terms energy: -122.709470
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -26.415
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: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -335.431869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.431869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.431869 (E_RNA)
where:
Base-Base interactions energy: -230.531
where: short stacking energy: -95.519
Base-Backbone interact. energy: -0.382
local terms energy: -104.519256
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -283.449970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.449970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.449970 (E_RNA)
where:
Base-Base interactions energy: -183.119
where: short stacking energy: -82.881
Base-Backbone interact. energy: -1.047
local terms energy: -99.284100
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -278.092686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.092686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.092686 (E_RNA)
where:
Base-Base interactions energy: -179.881
where: short stacking energy: -95.547
Base-Backbone interact. energy: -0.021
local terms energy: -98.190798
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -282.422993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.422993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.422993 (E_RNA)
where:
Base-Base interactions energy: -179.735
where: short stacking energy: -99.436
Base-Backbone interact. energy: -0.903
local terms energy: -101.785165
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -27.329
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: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -251.464875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.464875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.464875 (E_RNA)
where:
Base-Base interactions energy: -163.665
where: short stacking energy: -66.778
Base-Backbone interact. energy: 0.923
local terms energy: -88.722299
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -15.311
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: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -271.123749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.123749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.123749 (E_RNA)
where:
Base-Base interactions energy: -171.744
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.179
local terms energy: -99.201603
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -11.972
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: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -144.116975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.116975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.116975 (E_RNA)
where:
Base-Base interactions energy: -78.346
where: short stacking energy: -47.587
Base-Backbone interact. energy: -0.282
local terms energy: -65.488426
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -116.948840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.948840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.948840 (E_RNA)
where:
Base-Base interactions energy: -50.922
where: short stacking energy: -30.969
Base-Backbone interact. energy: -0.215
local terms energy: -65.812455
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: 1.383
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: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -110.587821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.587821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.587821 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.773
local terms energy: -71.172302
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -337.993806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.993806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.993806 (E_RNA)
where:
Base-Base interactions energy: -225.943
where: short stacking energy: -96.171
Base-Backbone interact. energy: -0.126
local terms energy: -111.925279
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -339.242177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.242177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.242177 (E_RNA)
where:
Base-Base interactions energy: -223.955
where: short stacking energy: -92.131
Base-Backbone interact. energy: -0.119
local terms energy: -115.168287
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -23.220
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: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -287.439010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.439010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.439010 (E_RNA)
where:
Base-Base interactions energy: -189.761
where: short stacking energy: -92.410
Base-Backbone interact. energy: 0.178
local terms energy: -97.856117
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -291.606999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.606999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.606999 (E_RNA)
where:
Base-Base interactions energy: -177.821
where: short stacking energy: -88.449
Base-Backbone interact. energy: -0.283
local terms energy: -113.502452
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -271.513456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.513456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.513456 (E_RNA)
where:
Base-Base interactions energy: -175.407
where: short stacking energy: -85.140
Base-Backbone interact. energy: -0.891
local terms energy: -95.216030
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -17.254
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: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -268.673872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.673872 (E_RNA)
where:
Base-Base interactions energy: -174.953
where: short stacking energy: -78.435
Base-Backbone interact. energy: -0.484
local terms energy: -93.236361
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -12.248
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: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -263.182251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.182251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.182251 (E_RNA)
where:
Base-Base interactions energy: -171.923
where: short stacking energy: -83.687
Base-Backbone interact. energy: -1.150
local terms energy: -90.108745
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -16.133
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: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -125.856458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.856458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.856458 (E_RNA)
where:
Base-Base interactions energy: -53.248
where: short stacking energy: -52.073
Base-Backbone interact. energy: 0.062
local terms energy: -72.670286
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -11.230
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: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -112.495213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.495213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.495213 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -19.612
Base-Backbone interact. energy: 0.176
local terms energy: -72.770185
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -111.389922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.389922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.389922 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.321
local terms energy: -74.669000
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -344.380006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.380006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.380006 (E_RNA)
where:
Base-Base interactions energy: -234.204
where: short stacking energy: -93.524
Base-Backbone interact. energy: -0.365
local terms energy: -109.811021
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -29.644
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -324.965177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.965177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.965177 (E_RNA)
where:
Base-Base interactions energy: -225.087
where: short stacking energy: -91.849
Base-Backbone interact. energy: -0.378
local terms energy: -99.499837
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -289.972060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.972060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.972060 (E_RNA)
where:
Base-Base interactions energy: -183.482
where: short stacking energy: -95.116
Base-Backbone interact. energy: -0.404
local terms energy: -106.085985
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -14.228
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: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -265.497112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.497112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.497112 (E_RNA)
where:
Base-Base interactions energy: -160.170
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.124
local terms energy: -105.203387
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -286.735071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.735071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.735071 (E_RNA)
where:
Base-Base interactions energy: -187.316
where: short stacking energy: -82.683
Base-Backbone interact. energy: -0.563
local terms energy: -98.855928
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -274.886011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.886011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.886011 (E_RNA)
where:
Base-Base interactions energy: -172.868
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.246
local terms energy: -101.771968
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -20.660
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: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -235.548740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.548740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.548740 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -61.627
Base-Backbone interact. energy: 0.975
local terms energy: -87.034200
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -13.196
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -139.966684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.966684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.966684 (E_RNA)
where:
Base-Base interactions energy: -60.114
where: short stacking energy: -42.027
Base-Backbone interact. energy: -0.664
local terms energy: -79.188645
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -111.906888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.906888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.906888 (E_RNA)
where:
Base-Base interactions energy: -49.834
where: short stacking energy: -51.634
Base-Backbone interact. energy: 0.199
local terms energy: -62.272433
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -111.701852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.701852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.701852 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -36.140
Base-Backbone interact. energy: -1.065
local terms energy: -71.025501
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -6.413
flat angles P-C4'-P energy: -6.263
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: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -350.728441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.728441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.728441 (E_RNA)
where:
Base-Base interactions energy: -244.993
where: short stacking energy: -101.354
Base-Backbone interact. energy: -0.267
local terms energy: -105.468179
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -323.714949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.714949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.714949 (E_RNA)
where:
Base-Base interactions energy: -219.849
where: short stacking energy: -97.599
Base-Backbone interact. energy: -0.617
local terms energy: -103.248606
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -294.421648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.421648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.421648 (E_RNA)
where:
Base-Base interactions energy: -193.364
where: short stacking energy: -93.072
Base-Backbone interact. energy: -0.183
local terms energy: -100.873946
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -20.119
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: 33
Temperature: 1.050000
Total energy: -299.456367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.456367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.456367 (E_RNA)
where:
Base-Base interactions energy: -196.580
where: short stacking energy: -80.824
Base-Backbone interact. energy: -0.313
local terms energy: -102.563128
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -271.539951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.539951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.539951 (E_RNA)
where:
Base-Base interactions energy: -169.445
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.122
local terms energy: -101.973380
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -17.298
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -250.914181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.914181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.914181 (E_RNA)
where:
Base-Base interactions energy: -152.519
where: short stacking energy: -75.969
Base-Backbone interact. energy: -0.163
local terms energy: -98.232074
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -10.492
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: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -250.713288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.713288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.713288 (E_RNA)
where:
Base-Base interactions energy: -165.556
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.033
local terms energy: -85.124774
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -123.625757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.625757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.625757 (E_RNA)
where:
Base-Base interactions energy: -50.326
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.174
local terms energy: -73.125910
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -8.281
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: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -123.893569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.893569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.893569 (E_RNA)
where:
Base-Base interactions energy: -59.777
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.146
local terms energy: -63.970357
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -9.265
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: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -111.055979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.055979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.055979 (E_RNA)
where:
Base-Base interactions energy: -36.986
where: short stacking energy: -21.482
Base-Backbone interact. energy: -1.297
local terms energy: -72.772988
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: 4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -341.428602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.428602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.428602 (E_RNA)
where:
Base-Base interactions energy: -235.077
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.504
local terms energy: -105.847104
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -323.573225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.573225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.573225 (E_RNA)
where:
Base-Base interactions energy: -218.899
where: short stacking energy: -98.979
Base-Backbone interact. energy: -0.316
local terms energy: -104.358421
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -25.251
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: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -308.546860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.546860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.546860 (E_RNA)
where:
Base-Base interactions energy: -207.582
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.283
local terms energy: -100.681424
where:
bonds (distance) C4'-P energy: -24.902
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -289.301992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.301992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.301992 (E_RNA)
where:
Base-Base interactions energy: -183.490
where: short stacking energy: -89.757
Base-Backbone interact. energy: -0.105
local terms energy: -105.706079
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -288.167014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.167014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.167014 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -78.658
Base-Backbone interact. energy: -0.126
local terms energy: -99.007859
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -255.450825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.450825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.450825 (E_RNA)
where:
Base-Base interactions energy: -159.220
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.194
local terms energy: -96.036763
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -258.278590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.278590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.278590 (E_RNA)
where:
Base-Base interactions energy: -171.089
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.684
local terms energy: -86.506127
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -125.339483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.339483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.339483 (E_RNA)
where:
Base-Base interactions energy: -50.208
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.363
local terms energy: -74.768518
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -139.694797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.694797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.694797 (E_RNA)
where:
Base-Base interactions energy: -73.006
where: short stacking energy: -39.933
Base-Backbone interact. energy: -0.280
local terms energy: -66.409019
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -114.375586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.375586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.375586 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.349
local terms energy: -80.030494
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -5.460
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: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -337.662308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.662308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.662308 (E_RNA)
where:
Base-Base interactions energy: -232.674
where: short stacking energy: -102.843
Base-Backbone interact. energy: -0.019
local terms energy: -104.969349
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -341.549914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.549914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.549914 (E_RNA)
where:
Base-Base interactions energy: -228.416
where: short stacking energy: -93.072
Base-Backbone interact. energy: -0.764
local terms energy: -112.369971
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -289.304554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.304554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.304554 (E_RNA)
where:
Base-Base interactions energy: -195.664
where: short stacking energy: -89.268
Base-Backbone interact. energy: 1.677
local terms energy: -95.318007
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -279.438186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.438186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.438186 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.070
local terms energy: -93.979375
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -290.449856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.449856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.449856 (E_RNA)
where:
Base-Base interactions energy: -192.547
where: short stacking energy: -86.091
Base-Backbone interact. energy: -0.572
local terms energy: -97.330267
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -15.614
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: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -262.795376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.795376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.795376 (E_RNA)
where:
Base-Base interactions energy: -164.628
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.284
local terms energy: -97.883401
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -21.509
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: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -264.147675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.147675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.147675 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -82.996
Base-Backbone interact. energy: 0.299
local terms energy: -98.560240
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -136.328857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.328857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.328857 (E_RNA)
where:
Base-Base interactions energy: -54.862
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.075
local terms energy: -81.391617
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -129.061276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.061276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.061276 (E_RNA)
where:
Base-Base interactions energy: -55.053
where: short stacking energy: -31.264
Base-Backbone interact. energy: 0.662
local terms energy: -74.670710
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -111.016386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.016386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.016386 (E_RNA)
where:
Base-Base interactions energy: -58.271
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.446
local terms energy: -52.298823
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: 5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -344.508371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.508371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.508371 (E_RNA)
where:
Base-Base interactions energy: -237.239
where: short stacking energy: -94.032
Base-Backbone interact. energy: -0.654
local terms energy: -106.615201
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -27.635
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: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -341.122197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.122197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.122197 (E_RNA)
where:
Base-Base interactions energy: -235.181
where: short stacking energy: -93.959
Base-Backbone interact. energy: -0.099
local terms energy: -105.841829
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -292.518196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.518196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.518196 (E_RNA)
where:
Base-Base interactions energy: -181.386
where: short stacking energy: -91.558
Base-Backbone interact. energy: -0.026
local terms energy: -111.106212
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -278.394014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.394014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.394014 (E_RNA)
where:
Base-Base interactions energy: -187.394
where: short stacking energy: -87.560
Base-Backbone interact. energy: 0.623
local terms energy: -91.623437
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -18.834
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: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -295.283411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.283411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.283411 (E_RNA)
where:
Base-Base interactions energy: -201.428
where: short stacking energy: -84.538
Base-Backbone interact. energy: -0.080
local terms energy: -93.775854
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -258.298637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.298637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.298637 (E_RNA)
where:
Base-Base interactions energy: -166.078
where: short stacking energy: -80.120
Base-Backbone interact. energy: -0.195
local terms energy: -92.025768
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -243.582725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.582725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.582725 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.103
local terms energy: -93.339085
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -140.845994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.845994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.845994 (E_RNA)
where:
Base-Base interactions energy: -72.578
where: short stacking energy: -48.649
Base-Backbone interact. energy: -0.087
local terms energy: -68.180927
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -0.973
tors. eta vs tors. theta energy: -9.881
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: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -132.706938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.706938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.706938 (E_RNA)
where:
Base-Base interactions energy: -47.867
where: short stacking energy: -47.867
Base-Backbone interact. energy: -0.152
local terms energy: -84.688236
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -9.440
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: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -132.788521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.788521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.788521 (E_RNA)
where:
Base-Base interactions energy: -53.460
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.741
local terms energy: -78.586963
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -358.666786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.666786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.666786 (E_RNA)
where:
Base-Base interactions energy: -244.391
where: short stacking energy: -94.408
Base-Backbone interact. energy: -1.274
local terms energy: -113.002307
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -26.440
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: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -328.325729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.325729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.325729 (E_RNA)
where:
Base-Base interactions energy: -216.911
where: short stacking energy: -86.800
Base-Backbone interact. energy: -0.759
local terms energy: -110.655574
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -25.093
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: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -307.077829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.077829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.077829 (E_RNA)
where:
Base-Base interactions energy: -195.659
where: short stacking energy: -88.179
Base-Backbone interact. energy: -0.687
local terms energy: -110.731504
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -288.229854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.229854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.229854 (E_RNA)
where:
Base-Base interactions energy: -200.335
where: short stacking energy: -86.054
Base-Backbone interact. energy: -0.446
local terms energy: -87.449286
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -13.177
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: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -264.886907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.886907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.886907 (E_RNA)
where:
Base-Base interactions energy: -172.325
where: short stacking energy: -83.078
Base-Backbone interact. energy: -0.230
local terms energy: -92.331660
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -263.565262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.565262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.565262 (E_RNA)
where:
Base-Base interactions energy: -171.596
where: short stacking energy: -79.660
Base-Backbone interact. energy: -0.304
local terms energy: -91.665514
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -255.208939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.208939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.208939 (E_RNA)
where:
Base-Base interactions energy: -165.153
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.113
local terms energy: -89.943451
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -160.811552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.811552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.811552 (E_RNA)
where:
Base-Base interactions energy: -87.619
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.261
local terms energy: -72.931697
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -112.473401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.473401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.473401 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -33.008
Base-Backbone interact. energy: -0.209
local terms energy: -75.729770
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -116.925237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.925237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.925237 (E_RNA)
where:
Base-Base interactions energy: -53.429
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.386
local terms energy: -63.110421
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -338.008828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.008828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.008828 (E_RNA)
where:
Base-Base interactions energy: -228.913
where: short stacking energy: -87.318
Base-Backbone interact. energy: -0.569
local terms energy: -108.526703
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -331.503517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.503517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.503517 (E_RNA)
where:
Base-Base interactions energy: -229.451
where: short stacking energy: -99.369
Base-Backbone interact. energy: -1.201
local terms energy: -100.851922
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -25.119
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -290.545296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.545296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.545296 (E_RNA)
where:
Base-Base interactions energy: -184.242
where: short stacking energy: -91.113
Base-Backbone interact. energy: -0.201
local terms energy: -106.102582
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -25.056
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: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -297.349127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.349127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.349127 (E_RNA)
where:
Base-Base interactions energy: -202.083
where: short stacking energy: -84.025
Base-Backbone interact. energy: -0.499
local terms energy: -94.767405
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -19.017
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: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -257.640140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.640140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.640140 (E_RNA)
where:
Base-Base interactions energy: -167.339
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.291
local terms energy: -90.010648
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -257.850042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.850042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.850042 (E_RNA)
where:
Base-Base interactions energy: -175.498
where: short stacking energy: -88.623
Base-Backbone interact. energy: -0.204
local terms energy: -82.148171
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -254.337659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.337659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.337659 (E_RNA)
where:
Base-Base interactions energy: -165.212
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.489
local terms energy: -88.636091
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -13.163
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: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -124.892008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.892008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.892008 (E_RNA)
where:
Base-Base interactions energy: -52.763
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.542
local terms energy: -71.587079
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -143.927409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.927409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.927409 (E_RNA)
where:
Base-Base interactions energy: -70.865
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.702
local terms energy: -72.360889
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -112.302508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.302508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.302508 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.313
local terms energy: -78.204439
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -347.048004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.048004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.048004 (E_RNA)
where:
Base-Base interactions energy: -229.010
where: short stacking energy: -99.894
Base-Backbone interact. energy: -0.706
local terms energy: -117.332354
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -28.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -338.405642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.405642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.405642 (E_RNA)
where:
Base-Base interactions energy: -230.990
where: short stacking energy: -98.818
Base-Backbone interact. energy: -0.368
local terms energy: -107.046920
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -296.441712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.441712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.441712 (E_RNA)
where:
Base-Base interactions energy: -190.712
where: short stacking energy: -94.671
Base-Backbone interact. energy: -1.059
local terms energy: -104.669939
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -294.694139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.694139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.694139 (E_RNA)
where:
Base-Base interactions energy: -208.993
where: short stacking energy: -71.809
Base-Backbone interact. energy: -1.047
local terms energy: -84.653984
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -12.919
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -280.107699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.107699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.107699 (E_RNA)
where:
Base-Base interactions energy: -185.286
where: short stacking energy: -84.168
Base-Backbone interact. energy: -3.223
local terms energy: -91.599093
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -272.094720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.094720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.094720 (E_RNA)
where:
Base-Base interactions energy: -166.863
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.693
local terms energy: -104.538902
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -18.025
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: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -229.976327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.976327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.976327 (E_RNA)
where:
Base-Base interactions energy: -146.348
where: short stacking energy: -77.103
Base-Backbone interact. energy: 0.707
local terms energy: -84.335249
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -118.220283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.220283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.220283 (E_RNA)
where:
Base-Base interactions energy: -41.155
where: short stacking energy: -38.937
Base-Backbone interact. energy: -0.098
local terms energy: -76.967592
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -5.767
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: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -112.552234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.552234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.552234 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -32.473
Base-Backbone interact. energy: -0.389
local terms energy: -65.720898
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: 8.775
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: 39
Temperature: 1.350000
Total energy: -118.117693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.117693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.117693 (E_RNA)
where:
Base-Base interactions energy: -41.207
where: short stacking energy: -37.395
Base-Backbone interact. energy: -0.354
local terms energy: -76.556898
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -344.219636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.219636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.219636 (E_RNA)
where:
Base-Base interactions energy: -237.306
where: short stacking energy: -95.037
Base-Backbone interact. energy: -0.855
local terms energy: -106.058817
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -314.884540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.884540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.884540 (E_RNA)
where:
Base-Base interactions energy: -211.548
where: short stacking energy: -84.879
Base-Backbone interact. energy: -0.500
local terms energy: -102.837235
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -310.502551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.502551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.502551 (E_RNA)
where:
Base-Base interactions energy: -203.862
where: short stacking energy: -86.176
Base-Backbone interact. energy: -0.623
local terms energy: -106.017891
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -19.990
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: -284.988045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.988045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.988045 (E_RNA)
where:
Base-Base interactions energy: -187.227
where: short stacking energy: -80.269
Base-Backbone interact. energy: -0.432
local terms energy: -97.328885
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -250.837782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.837782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.837782 (E_RNA)
where:
Base-Base interactions energy: -162.586
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.898
local terms energy: -87.353401
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -235.758966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.758966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.758966 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -59.988
Base-Backbone interact. energy: 0.025
local terms energy: -94.160171
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -15.870
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: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -144.846316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.846316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.846316 (E_RNA)
where:
Base-Base interactions energy: -58.830
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.102
local terms energy: -85.914504
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -188.757369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.757369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.757369 (E_RNA)
where:
Base-Base interactions energy: -119.762
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.175
local terms energy: -68.820289
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -108.201580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.201580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.201580 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.412
local terms energy: -70.226719
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -123.009216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.009216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.009216 (E_RNA)
where:
Base-Base interactions energy: -41.686
where: short stacking energy: -39.790
Base-Backbone interact. energy: 0.590
local terms energy: -81.913757
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -0.785
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -343.478219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.478219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.478219 (E_RNA)
where:
Base-Base interactions energy: -236.824
where: short stacking energy: -102.268
Base-Backbone interact. energy: -1.394
local terms energy: -105.259628
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -25.471
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -322.275809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.275809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.275809 (E_RNA)
where:
Base-Base interactions energy: -214.194
where: short stacking energy: -91.340
Base-Backbone interact. energy: -0.479
local terms energy: -107.602746
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -20.775
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: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -316.319555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.319555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.319555 (E_RNA)
where:
Base-Base interactions energy: -210.864
where: short stacking energy: -89.371
Base-Backbone interact. energy: -0.945
local terms energy: -104.510810
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -280.159728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.159728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.159728 (E_RNA)
where:
Base-Base interactions energy: -189.582
where: short stacking energy: -85.891
Base-Backbone interact. energy: -0.346
local terms energy: -90.231590
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -264.108027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.108027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.108027 (E_RNA)
where:
Base-Base interactions energy: -176.177
where: short stacking energy: -87.037
Base-Backbone interact. energy: -0.105
local terms energy: -87.825947
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -221.352190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.352190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.352190 (E_RNA)
where:
Base-Base interactions energy: -139.034
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.602
local terms energy: -81.716474
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -12.503
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: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -133.706952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.706952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.706952 (E_RNA)
where:
Base-Base interactions energy: -68.568
where: short stacking energy: -50.255
Base-Backbone interact. energy: -0.938
local terms energy: -64.200792
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -219.386360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.386360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.386360 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -63.269
Base-Backbone interact. energy: 0.076
local terms energy: -83.260836
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -123.895935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.895935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.895935 (E_RNA)
where:
Base-Base interactions energy: -53.699
where: short stacking energy: -34.684
Base-Backbone interact. energy: 0.548
local terms energy: -70.744435
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.326
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: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -114.028587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.028587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.028587 (E_RNA)
where:
Base-Base interactions energy: -44.209
where: short stacking energy: -39.885
Base-Backbone interact. energy: -0.448
local terms energy: -69.371185
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -2.302
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: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -344.403269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.403269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.403269 (E_RNA)
where:
Base-Base interactions energy: -231.861
where: short stacking energy: -97.550
Base-Backbone interact. energy: -0.672
local terms energy: -111.869504
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -26.771
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: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -319.807551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.807551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.807551 (E_RNA)
where:
Base-Base interactions energy: -212.030
where: short stacking energy: -80.449
Base-Backbone interact. energy: 0.387
local terms energy: -108.164417
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -303.955776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.955776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.955776 (E_RNA)
where:
Base-Base interactions energy: -187.544
where: short stacking energy: -95.530
Base-Backbone interact. energy: -0.197
local terms energy: -116.213966
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -26.961
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: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -299.883818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.883818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.883818 (E_RNA)
where:
Base-Base interactions energy: -201.880
where: short stacking energy: -91.218
Base-Backbone interact. energy: -0.099
local terms energy: -97.904187
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -263.182129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.182129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.182129 (E_RNA)
where:
Base-Base interactions energy: -176.407
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.190
local terms energy: -86.584963
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -12.252
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -258.030119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.030119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.030119 (E_RNA)
where:
Base-Base interactions energy: -166.462
where: short stacking energy: -79.724
Base-Backbone interact. energy: -0.211
local terms energy: -91.356188
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -249.561396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.561396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.561396 (E_RNA)
where:
Base-Base interactions energy: -153.737
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.053
local terms energy: -95.771296
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.645
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: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -125.599856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.599856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.599856 (E_RNA)
where:
Base-Base interactions energy: -58.334
where: short stacking energy: -35.072
Base-Backbone interact. energy: -0.202
local terms energy: -67.064340
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -124.247006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.247006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.247006 (E_RNA)
where:
Base-Base interactions energy: -59.398
where: short stacking energy: -40.288
Base-Backbone interact. energy: -0.259
local terms energy: -64.589763
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -119.811200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.811200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.811200 (E_RNA)
where:
Base-Base interactions energy: -57.466
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.104
local terms energy: -62.241593
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -353.029101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.029101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.029101 (E_RNA)
where:
Base-Base interactions energy: -237.201
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.299
local terms energy: -115.529626
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -14.011
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: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -320.409268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.409268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.409268 (E_RNA)
where:
Base-Base interactions energy: -217.507
where: short stacking energy: -89.534
Base-Backbone interact. energy: -0.469
local terms energy: -102.433384
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -298.177412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.177412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.177412 (E_RNA)
where:
Base-Base interactions energy: -190.095
where: short stacking energy: -90.181
Base-Backbone interact. energy: -0.203
local terms energy: -107.879508
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -22.803
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: 43
Temperature: 1.050000
Total energy: -297.113498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.113498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.113498 (E_RNA)
where:
Base-Base interactions energy: -195.818
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.055
local terms energy: -101.240431
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -24.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -276.121613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.121613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.121613 (E_RNA)
where:
Base-Base interactions energy: -175.035
where: short stacking energy: -75.528
Base-Backbone interact. energy: -0.333
local terms energy: -100.753626
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -15.615
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: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -250.921433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.921433 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.619
local terms energy: -85.290756
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -250.621468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.621468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.621468 (E_RNA)
where:
Base-Base interactions energy: -161.301
where: short stacking energy: -80.297
Base-Backbone interact. energy: 0.948
local terms energy: -90.268169
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -16.120
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -120.678367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.678367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.678367 (E_RNA)
where:
Base-Base interactions energy: -48.998
where: short stacking energy: -38.572
Base-Backbone interact. energy: 0.704
local terms energy: -72.384243
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -127.717242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.717242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.717242 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.555
local terms energy: -78.288741
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -104.724965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.724965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.724965 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.368
local terms energy: -64.828711
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -1.108
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -337.960865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.960865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.960865 (E_RNA)
where:
Base-Base interactions energy: -228.812
where: short stacking energy: -94.698
Base-Backbone interact. energy: -1.890
local terms energy: -107.258437
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -24.837
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -335.756198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.756198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.756198 (E_RNA)
where:
Base-Base interactions energy: -226.936
where: short stacking energy: -93.255
Base-Backbone interact. energy: -0.722
local terms energy: -108.098337
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -322.368259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.368259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.368259 (E_RNA)
where:
Base-Base interactions energy: -208.058
where: short stacking energy: -97.441
Base-Backbone interact. energy: -0.345
local terms energy: -113.965156
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -280.389910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.389910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.389910 (E_RNA)
where:
Base-Base interactions energy: -180.406
where: short stacking energy: -81.286
Base-Backbone interact. energy: -1.813
local terms energy: -98.171811
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -294.773620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.773620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.773620 (E_RNA)
where:
Base-Base interactions energy: -198.431
where: short stacking energy: -91.517
Base-Backbone interact. energy: -0.137
local terms energy: -96.205711
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -14.687
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -213.431698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431698 (E_RNA)
where:
Base-Base interactions energy: -123.395
where: short stacking energy: -62.236
Base-Backbone interact. energy: 0.168
local terms energy: -90.204167
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -137.606326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.606326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.606326 (E_RNA)
where:
Base-Base interactions energy: -59.981
where: short stacking energy: -37.987
Base-Backbone interact. energy: -1.027
local terms energy: -76.598568
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -10.475
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: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -239.822121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.822121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.822121 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.920
local terms energy: -91.722443
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -99.750620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.750620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.750620 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -28.695
Base-Backbone interact. energy: -1.302
local terms energy: -60.179133
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -112.586880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.586880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.586880 (E_RNA)
where:
Base-Base interactions energy: -45.872
where: short stacking energy: -32.098
Base-Backbone interact. energy: 0.912
local terms energy: -67.626869
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: 3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -332.100528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.100528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.100528 (E_RNA)
where:
Base-Base interactions energy: -222.255
where: short stacking energy: -100.121
Base-Backbone interact. energy: -0.129
local terms energy: -109.716070
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -25.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -311.811582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.811582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.811582 (E_RNA)
where:
Base-Base interactions energy: -208.176
where: short stacking energy: -99.476
Base-Backbone interact. energy: 0.347
local terms energy: -103.982590
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -28.796
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: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -323.100330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.100330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.100330 (E_RNA)
where:
Base-Base interactions energy: -227.376
where: short stacking energy: -96.474
Base-Backbone interact. energy: 0.256
local terms energy: -95.979929
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -20.683
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: 45
Temperature: 1.050000
Total energy: -296.983098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.983098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.983098 (E_RNA)
where:
Base-Base interactions energy: -186.603
where: short stacking energy: -85.515
Base-Backbone interact. energy: -0.568
local terms energy: -109.811941
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -15.611
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: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -270.205589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.205589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.205589 (E_RNA)
where:
Base-Base interactions energy: -180.843
where: short stacking energy: -89.161
Base-Backbone interact. energy: -0.465
local terms energy: -88.898332
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -18.728
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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -238.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.947851 (E_RNA)
where:
Base-Base interactions energy: -150.653
where: short stacking energy: -72.732
Base-Backbone interact. energy: 1.606
local terms energy: -89.901070
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -203.654349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.654349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.654349 (E_RNA)
where:
Base-Base interactions energy: -122.077
where: short stacking energy: -60.253
Base-Backbone interact. energy: 0.015
local terms energy: -81.592278
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -217.404097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.404097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.404097 (E_RNA)
where:
Base-Base interactions energy: -126.505
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.186
local terms energy: -90.712535
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -14.624
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: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -113.453062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.453062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.453062 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -35.085
Base-Backbone interact. energy: 0.598
local terms energy: -74.856726
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -115.282446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.282446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.282446 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -41.938
Base-Backbone interact. energy: 3.153
local terms energy: -69.265134
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -6.566
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: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -341.466820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.466820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.466820 (E_RNA)
where:
Base-Base interactions energy: -232.187
where: short stacking energy: -101.010
Base-Backbone interact. energy: 0.284
local terms energy: -109.564139
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -322.022650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.022650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.022650 (E_RNA)
where:
Base-Base interactions energy: -203.213
where: short stacking energy: -106.731
Base-Backbone interact. energy: 1.523
local terms energy: -120.332637
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -18.937
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -320.797501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.797501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.797501 (E_RNA)
where:
Base-Base interactions energy: -217.191
where: short stacking energy: -89.020
Base-Backbone interact. energy: -0.362
local terms energy: -103.244264
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -17.901
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: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -284.144027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.144027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.144027 (E_RNA)
where:
Base-Base interactions energy: -184.508
where: short stacking energy: -96.200
Base-Backbone interact. energy: -0.831
local terms energy: -98.805288
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -22.674
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -226.558136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558136 (E_RNA)
where:
Base-Base interactions energy: -137.594
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.300
local terms energy: -88.663889
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -266.923828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.923828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.923828 (E_RNA)
where:
Base-Base interactions energy: -166.209
where: short stacking energy: -84.448
Base-Backbone interact. energy: -0.028
local terms energy: -100.686854
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -20.856
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -236.501112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.501112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.501112 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -65.228
Base-Backbone interact. energy: -1.060
local terms energy: -91.643245
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -214.047202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.047202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.047202 (E_RNA)
where:
Base-Base interactions energy: -123.714
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.069
local terms energy: -90.263892
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -125.219440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.219440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.219440 (E_RNA)
where:
Base-Base interactions energy: -53.869
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.466
local terms energy: -70.884359
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -115.576500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.576500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.576500 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -33.743
Base-Backbone interact. energy: -1.337
local terms energy: -77.755126
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.782
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: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -345.668701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.668701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.668701 (E_RNA)
where:
Base-Base interactions energy: -221.199
where: short stacking energy: -106.110
Base-Backbone interact. energy: -0.787
local terms energy: -123.682628
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -19.157
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: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -323.241427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.241427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.241427 (E_RNA)
where:
Base-Base interactions energy: -215.756
where: short stacking energy: -89.808
Base-Backbone interact. energy: -0.555
local terms energy: -106.930870
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -302.741985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.741985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.741985 (E_RNA)
where:
Base-Base interactions energy: -181.914
where: short stacking energy: -98.661
Base-Backbone interact. energy: 0.050
local terms energy: -120.878425
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -33.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -300.798593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.798593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.798593 (E_RNA)
where:
Base-Base interactions energy: -203.662
where: short stacking energy: -84.598
Base-Backbone interact. energy: -0.245
local terms energy: -96.892190
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -260.462776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.462776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.462776 (E_RNA)
where:
Base-Base interactions energy: -163.621
where: short stacking energy: -78.796
Base-Backbone interact. energy: -0.044
local terms energy: -96.798338
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -272.750732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.750732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.750732 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.270
local terms energy: -94.142569
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -18.326
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -265.148506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.148506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.148506 (E_RNA)
where:
Base-Base interactions energy: -160.382
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.002
local terms energy: -104.764868
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -16.479
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -246.214068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.214068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.214068 (E_RNA)
where:
Base-Base interactions energy: -159.117
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.361
local terms energy: -86.736486
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -8.443
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -111.668230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.668230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.668230 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -36.725
Base-Backbone interact. energy: 0.566
local terms energy: -71.471658
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -9.471
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: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -120.020115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.020115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.020115 (E_RNA)
where:
Base-Base interactions energy: -55.749
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.165
local terms energy: -64.106268
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -2.769
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: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -335.713304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.713304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.713304 (E_RNA)
where:
Base-Base interactions energy: -228.124
where: short stacking energy: -103.336
Base-Backbone interact. energy: 1.926
local terms energy: -109.515164
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -13.993
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: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -339.691723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.691723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.691723 (E_RNA)
where:
Base-Base interactions energy: -228.381
where: short stacking energy: -102.897
Base-Backbone interact. energy: -0.482
local terms energy: -110.828908
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -29.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -294.707642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.707642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.707642 (E_RNA)
where:
Base-Base interactions energy: -196.614
where: short stacking energy: -84.397
Base-Backbone interact. energy: -0.252
local terms energy: -97.841180
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -14.626
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: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -296.158733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.158733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.158733 (E_RNA)
where:
Base-Base interactions energy: -188.977
where: short stacking energy: -96.067
Base-Backbone interact. energy: -0.195
local terms energy: -106.986552
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -16.190
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: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -294.599196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.599196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.599196 (E_RNA)
where:
Base-Base interactions energy: -194.531
where: short stacking energy: -92.551
Base-Backbone interact. energy: -0.324
local terms energy: -99.744075
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -275.342326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.342326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.342326 (E_RNA)
where:
Base-Base interactions energy: -179.603
where: short stacking energy: -89.626
Base-Backbone interact. energy: 1.157
local terms energy: -96.896112
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -238.589314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.589314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.589314 (E_RNA)
where:
Base-Base interactions energy: -156.970
where: short stacking energy: -80.771
Base-Backbone interact. energy: -0.390
local terms energy: -81.229996
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -269.752345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.752345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.752345 (E_RNA)
where:
Base-Base interactions energy: -182.046
where: short stacking energy: -85.287
Base-Backbone interact. energy: -0.099
local terms energy: -87.607623
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.015
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -113.687842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.687842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.687842 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -28.501
Base-Backbone interact. energy: -0.311
local terms energy: -75.725326
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -3.705
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -117.772772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.772772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.772772 (E_RNA)
where:
Base-Base interactions energy: -51.702
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.441
local terms energy: -65.629254
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -2.884
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: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -347.088010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.088010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.088010 (E_RNA)
where:
Base-Base interactions energy: -232.853
where: short stacking energy: -106.531
Base-Backbone interact. energy: -0.260
local terms energy: -113.975037
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -14.662
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: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -327.524637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.524637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.524637 (E_RNA)
where:
Base-Base interactions energy: -211.456
where: short stacking energy: -99.690
Base-Backbone interact. energy: -0.149
local terms energy: -115.919578
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -299.731016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.731016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.731016 (E_RNA)
where:
Base-Base interactions energy: -189.932
where: short stacking energy: -97.163
Base-Backbone interact. energy: -0.160
local terms energy: -109.638562
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -285.122824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.122824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.122824 (E_RNA)
where:
Base-Base interactions energy: -181.941
where: short stacking energy: -92.702
Base-Backbone interact. energy: -0.620
local terms energy: -102.561609
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -284.681256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.681256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.681256 (E_RNA)
where:
Base-Base interactions energy: -185.448
where: short stacking energy: -89.660
Base-Backbone interact. energy: -0.775
local terms energy: -98.458390
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -275.892706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.892706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.892706 (E_RNA)
where:
Base-Base interactions energy: -180.364
where: short stacking energy: -86.031
Base-Backbone interact. energy: 0.868
local terms energy: -96.396205
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -29.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -245.017821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.017821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.017821 (E_RNA)
where:
Base-Base interactions energy: -153.112
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.198
local terms energy: -91.707263
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -12.793
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -251.236939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.236939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.236939 (E_RNA)
where:
Base-Base interactions energy: -157.948
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.975
local terms energy: -92.314019
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -115.135895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.135895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.135895 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.305
local terms energy: -68.170442
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -105.937896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.937896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.937896 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.423
Base-Backbone interact. energy: 1.815
local terms energy: -71.108138
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -2.358
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: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -329.178892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.178892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.178892 (E_RNA)
where:
Base-Base interactions energy: -216.374
where: short stacking energy: -90.771
Base-Backbone interact. energy: -0.363
local terms energy: -112.442223
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -17.744
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: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -316.594620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.594620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.594620 (E_RNA)
where:
Base-Base interactions energy: -209.623
where: short stacking energy: -90.501
Base-Backbone interact. energy: -0.264
local terms energy: -106.708093
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -23.775
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: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -292.935081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.935081 (E_RNA)
where:
Base-Base interactions energy: -176.252
where: short stacking energy: -100.662
Base-Backbone interact. energy: -0.112
local terms energy: -116.570923
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -26.058
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: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -289.154238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.154238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.154238 (E_RNA)
where:
Base-Base interactions energy: -187.245
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.262
local terms energy: -101.647240
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -296.810256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.810256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.810256 (E_RNA)
where:
Base-Base interactions energy: -198.210
where: short stacking energy: -95.441
Base-Backbone interact. energy: -0.237
local terms energy: -98.363456
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -27.575
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: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -262.951019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.951019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.951019 (E_RNA)
where:
Base-Base interactions energy: -169.751
where: short stacking energy: -75.736
Base-Backbone interact. energy: -0.344
local terms energy: -92.856694
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -259.382076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.382076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.382076 (E_RNA)
where:
Base-Base interactions energy: -173.937
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.219
local terms energy: -85.226208
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -248.225324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.225324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.225324 (E_RNA)
where:
Base-Base interactions energy: -152.751
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.599
local terms energy: -94.876009
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -119.052533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.052533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.052533 (E_RNA)
where:
Base-Base interactions energy: -37.428
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.246
local terms energy: -81.377893
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -117.085988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.085988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.085988 (E_RNA)
where:
Base-Base interactions energy: -42.440
where: short stacking energy: -44.603
Base-Backbone interact. energy: -0.181
local terms energy: -74.465590
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -335.318938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.318938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.318938 (E_RNA)
where:
Base-Base interactions energy: -224.982
where: short stacking energy: -101.638
Base-Backbone interact. energy: 1.784
local terms energy: -112.120496
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -306.870685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.870685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.870685 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -98.295
Base-Backbone interact. energy: -0.205
local terms energy: -112.842200
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -26.796
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: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -311.862761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.862761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.862761 (E_RNA)
where:
Base-Base interactions energy: -198.106
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.254
local terms energy: -113.503221
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -28.931
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: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -293.946080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.946080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.946080 (E_RNA)
where:
Base-Base interactions energy: -184.536
where: short stacking energy: -89.323
Base-Backbone interact. energy: -0.288
local terms energy: -109.122182
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -25.250
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: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -268.697568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697568 (E_RNA)
where:
Base-Base interactions energy: -174.848
where: short stacking energy: -76.625
Base-Backbone interact. energy: -0.461
local terms energy: -93.389112
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -259.725727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.725727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.725727 (E_RNA)
where:
Base-Base interactions energy: -165.667
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.059
local terms energy: -93.999626
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.331
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: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -240.655822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.655822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.655822 (E_RNA)
where:
Base-Base interactions energy: -155.215
where: short stacking energy: -75.237
Base-Backbone interact. energy: -0.495
local terms energy: -84.945469
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -242.811777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.811777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.811777 (E_RNA)
where:
Base-Base interactions energy: -170.016
where: short stacking energy: -63.225
Base-Backbone interact. energy: -1.038
local terms energy: -71.758317
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -116.376866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.376866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.376866 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -31.830
Base-Backbone interact. energy: -0.486
local terms energy: -70.002391
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: 1.049
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: 51
Temperature: 1.350000
Total energy: -103.847944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847944 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -36.223
Base-Backbone interact. energy: 0.685
local terms energy: -65.598448
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -331.764697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.764697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.764697 (E_RNA)
where:
Base-Base interactions energy: -228.106
where: short stacking energy: -104.721
Base-Backbone interact. energy: -0.782
local terms energy: -102.876108
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -25.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -314.899078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.899078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.899078 (E_RNA)
where:
Base-Base interactions energy: -203.392
where: short stacking energy: -90.429
Base-Backbone interact. energy: -1.488
local terms energy: -110.018910
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -29.448
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: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -305.416280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.416280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.416280 (E_RNA)
where:
Base-Base interactions energy: -211.018
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.354
local terms energy: -94.044414
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -11.120
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: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -282.869507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.869507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.869507 (E_RNA)
where:
Base-Base interactions energy: -178.453
where: short stacking energy: -84.992
Base-Backbone interact. energy: -0.091
local terms energy: -104.325221
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -280.317214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.317214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.317214 (E_RNA)
where:
Base-Base interactions energy: -186.655
where: short stacking energy: -88.330
Base-Backbone interact. energy: -0.105
local terms energy: -93.557606
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -20.888
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: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -255.243683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.243683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.243683 (E_RNA)
where:
Base-Base interactions energy: -163.469
where: short stacking energy: -78.738
Base-Backbone interact. energy: -0.673
local terms energy: -91.101910
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -260.616837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.616837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.616837 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.069
local terms energy: -94.212396
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -237.590300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.590300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.590300 (E_RNA)
where:
Base-Base interactions energy: -148.251
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.028
local terms energy: -89.310598
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -15.019
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: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -124.418378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.418378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.418378 (E_RNA)
where:
Base-Base interactions energy: -58.697
where: short stacking energy: -46.818
Base-Backbone interact. energy: 0.850
local terms energy: -66.571457
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -97.676036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.676036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.676036 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -21.454
Base-Backbone interact. energy: -0.096
local terms energy: -65.575552
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: 1.511
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: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -335.716228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.716228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.716228 (E_RNA)
where:
Base-Base interactions energy: -219.872
where: short stacking energy: -91.845
Base-Backbone interact. energy: -0.222
local terms energy: -115.621992
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -317.728255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.728255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.728255 (E_RNA)
where:
Base-Base interactions energy: -200.732
where: short stacking energy: -104.267
Base-Backbone interact. energy: -0.096
local terms energy: -116.899891
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -29.261
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: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -305.889510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.889510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.889510 (E_RNA)
where:
Base-Base interactions energy: -206.279
where: short stacking energy: -92.438
Base-Backbone interact. energy: -0.129
local terms energy: -99.480734
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -289.172413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.172413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.172413 (E_RNA)
where:
Base-Base interactions energy: -192.202
where: short stacking energy: -83.828
Base-Backbone interact. energy: -0.697
local terms energy: -96.273133
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -263.953490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.953490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.953490 (E_RNA)
where:
Base-Base interactions energy: -165.497
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.472
local terms energy: -97.984331
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -18.177
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: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -258.046815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.046815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.046815 (E_RNA)
where:
Base-Base interactions energy: -167.078
where: short stacking energy: -81.410
Base-Backbone interact. energy: -0.489
local terms energy: -90.479706
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -262.251221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.251221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.251221 (E_RNA)
where:
Base-Base interactions energy: -159.443
where: short stacking energy: -74.891
Base-Backbone interact. energy: -1.967
local terms energy: -100.841198
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -16.511
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: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -212.001884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.001884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.001884 (E_RNA)
where:
Base-Base interactions energy: -130.429
where: short stacking energy: -62.971
Base-Backbone interact. energy: -1.559
local terms energy: -80.013760
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -108.940796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.940796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.940796 (E_RNA)
where:
Base-Base interactions energy: -44.108
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.566
local terms energy: -64.266629
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -103.352251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352251 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -36.273
Base-Backbone interact. energy: 0.330
local terms energy: -64.667114
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -333.493999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.493999 (E_RNA)
where:
Base-Base interactions energy: -219.753
where: short stacking energy: -108.172
Base-Backbone interact. energy: -0.727
local terms energy: -113.013533
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -28.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -322.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.255886 (E_RNA)
where:
Base-Base interactions energy: -214.671
where: short stacking energy: -90.591
Base-Backbone interact. energy: -0.487
local terms energy: -107.098377
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -307.051687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.051687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.051687 (E_RNA)
where:
Base-Base interactions energy: -198.393
where: short stacking energy: -85.441
Base-Backbone interact. energy: -1.319
local terms energy: -107.340326
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -284.301432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.301432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.301432 (E_RNA)
where:
Base-Base interactions energy: -186.961
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.174
local terms energy: -97.166262
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -284.066554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.066554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.066554 (E_RNA)
where:
Base-Base interactions energy: -185.935
where: short stacking energy: -86.899
Base-Backbone interact. energy: -0.134
local terms energy: -97.997685
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -19.055
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -280.388076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.388076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.388076 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -79.447
Base-Backbone interact. energy: 2.428
local terms energy: -99.265533
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.376
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: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -262.258770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.258770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.258770 (E_RNA)
where:
Base-Base interactions energy: -170.186
where: short stacking energy: -72.890
Base-Backbone interact. energy: 0.217
local terms energy: -92.289252
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -206.722731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.722731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722731 (E_RNA)
where:
Base-Base interactions energy: -127.293
where: short stacking energy: -64.521
Base-Backbone interact. energy: 0.232
local terms energy: -79.662634
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -140.565551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.565551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.565551 (E_RNA)
where:
Base-Base interactions energy: -59.364
where: short stacking energy: -44.743
Base-Backbone interact. energy: 0.191
local terms energy: -81.391783
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -118.456578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.456578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.456578 (E_RNA)
where:
Base-Base interactions energy: -56.261
where: short stacking energy: -41.491
Base-Backbone interact. energy: -0.136
local terms energy: -62.060039
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -342.336769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.336769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.336769 (E_RNA)
where:
Base-Base interactions energy: -230.574
where: short stacking energy: -116.222
Base-Backbone interact. energy: 0.610
local terms energy: -112.372872
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -317.519322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.519322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.519322 (E_RNA)
where:
Base-Base interactions energy: -211.109
where: short stacking energy: -92.772
Base-Backbone interact. energy: -0.776
local terms energy: -105.634817
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -28.150
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -315.870660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.870660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.870660 (E_RNA)
where:
Base-Base interactions energy: -219.313
where: short stacking energy: -83.687
Base-Backbone interact. energy: -0.348
local terms energy: -96.209780
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -284.365914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.365914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.365914 (E_RNA)
where:
Base-Base interactions energy: -186.093
where: short stacking energy: -92.673
Base-Backbone interact. energy: -0.011
local terms energy: -98.261222
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -278.176900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.176900 (E_RNA)
where:
Base-Base interactions energy: -171.050
where: short stacking energy: -87.494
Base-Backbone interact. energy: -0.182
local terms energy: -106.944266
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -22.369
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: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -263.506705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.506705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.506705 (E_RNA)
where:
Base-Base interactions energy: -165.829
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.504
local terms energy: -97.173045
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -257.964050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.964050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.964050 (E_RNA)
where:
Base-Base interactions energy: -171.267
where: short stacking energy: -79.614
Base-Backbone interact. energy: -0.352
local terms energy: -86.344919
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -212.170517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.170517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.170517 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -63.306
Base-Backbone interact. energy: -1.274
local terms energy: -78.723683
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -112.253408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.253408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.253408 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -35.430
Base-Backbone interact. energy: -0.277
local terms energy: -58.190854
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: 7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -110.127743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.127743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.127743 (E_RNA)
where:
Base-Base interactions energy: -42.230
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.153
local terms energy: -67.745184
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -322.191639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.191639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.191639 (E_RNA)
where:
Base-Base interactions energy: -214.415
where: short stacking energy: -96.624
Base-Backbone interact. energy: -1.233
local terms energy: -106.543333
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -316.581075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.581075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.581075 (E_RNA)
where:
Base-Base interactions energy: -209.510
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.466
local terms energy: -106.604887
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -326.639734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.639734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.639734 (E_RNA)
where:
Base-Base interactions energy: -224.625
where: short stacking energy: -94.055
Base-Backbone interact. energy: 0.768
local terms energy: -102.783177
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -294.692812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.692812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.692812 (E_RNA)
where:
Base-Base interactions energy: -187.849
where: short stacking energy: -104.027
Base-Backbone interact. energy: -0.019
local terms energy: -106.824465
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -284.296519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.296519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.296519 (E_RNA)
where:
Base-Base interactions energy: -188.878
where: short stacking energy: -76.942
Base-Backbone interact. energy: -0.283
local terms energy: -95.135112
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -18.483
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: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -256.669219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.669219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.669219 (E_RNA)
where:
Base-Base interactions energy: -152.413
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.646
local terms energy: -103.610476
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -16.374
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: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -243.544648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.544648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.544648 (E_RNA)
where:
Base-Base interactions energy: -148.197
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.398
local terms energy: -94.950169
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -16.532
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: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -231.670798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.670798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.670798 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.582
local terms energy: -90.742443
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -11.139
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: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -137.796376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.796376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.796376 (E_RNA)
where:
Base-Base interactions energy: -66.891
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.286
local terms energy: -70.619583
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -101.172248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.172248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.172248 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.572
local terms energy: -53.445412
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: 3.625
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: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -313.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.610063 (E_RNA)
where:
Base-Base interactions energy: -206.460
where: short stacking energy: -94.253
Base-Backbone interact. energy: -0.163
local terms energy: -106.987011
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -17.680
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: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -320.280226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.280226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.280226 (E_RNA)
where:
Base-Base interactions energy: -202.359
where: short stacking energy: -94.145
Base-Backbone interact. energy: -0.161
local terms energy: -117.760291
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -18.640
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -313.197926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.197926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.197926 (E_RNA)
where:
Base-Base interactions energy: -204.241
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.160
local terms energy: -108.796997
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -20.181
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: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -301.862378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.862378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.862378 (E_RNA)
where:
Base-Base interactions energy: -197.180
where: short stacking energy: -90.229
Base-Backbone interact. energy: -0.948
local terms energy: -103.734142
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -22.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -284.777607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.777607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.777607 (E_RNA)
where:
Base-Base interactions energy: -184.544
where: short stacking energy: -89.929
Base-Backbone interact. energy: -0.078
local terms energy: -100.155600
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -263.256291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.256291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.256291 (E_RNA)
where:
Base-Base interactions energy: -176.174
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.340
local terms energy: -86.742617
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -236.999420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.999420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.999420 (E_RNA)
where:
Base-Base interactions energy: -158.331
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.150
local terms energy: -78.518596
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -10.322
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -246.830724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.830724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.830724 (E_RNA)
where:
Base-Base interactions energy: -148.134
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.145
local terms energy: -98.552083
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -117.169408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169408 (E_RNA)
where:
Base-Base interactions energy: -55.671
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.242
local terms energy: -61.256303
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -117.633662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.633662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.633662 (E_RNA)
where:
Base-Base interactions energy: -57.589
where: short stacking energy: -39.006
Base-Backbone interact. energy: -0.180
local terms energy: -59.865075
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -324.549289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.549289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.549289 (E_RNA)
where:
Base-Base interactions energy: -216.829
where: short stacking energy: -108.635
Base-Backbone interact. energy: -0.208
local terms energy: -107.512130
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -329.165421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.165421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.165421 (E_RNA)
where:
Base-Base interactions energy: -217.965
where: short stacking energy: -103.948
Base-Backbone interact. energy: -0.245
local terms energy: -110.955216
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -322.755436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.755436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.755436 (E_RNA)
where:
Base-Base interactions energy: -217.967
where: short stacking energy: -93.548
Base-Backbone interact. energy: -0.534
local terms energy: -104.255325
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -292.373889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.373889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.373889 (E_RNA)
where:
Base-Base interactions energy: -193.524
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.176
local terms energy: -98.673679
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -14.747
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -287.977065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.977065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.977065 (E_RNA)
where:
Base-Base interactions energy: -185.929
where: short stacking energy: -102.914
Base-Backbone interact. energy: -0.047
local terms energy: -102.001559
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -269.890321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.890321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.890321 (E_RNA)
where:
Base-Base interactions energy: -180.276
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.162
local terms energy: -89.452915
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -24.974
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -249.337860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.337860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.337860 (E_RNA)
where:
Base-Base interactions energy: -162.920
where: short stacking energy: -72.592
Base-Backbone interact. energy: 0.060
local terms energy: -86.478071
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -245.932516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.932516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.932516 (E_RNA)
where:
Base-Base interactions energy: -149.455
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.405
local terms energy: -96.072574
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -124.649673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.649673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.649673 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -43.711
Base-Backbone interact. energy: -0.185
local terms energy: -74.433594
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -112.628497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.628497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.628497 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.379
local terms energy: -77.565609
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -314.753020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.753020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.753020 (E_RNA)
where:
Base-Base interactions energy: -199.501
where: short stacking energy: -108.924
Base-Backbone interact. energy: -0.345
local terms energy: -114.906709
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -338.714699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.714699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.714699 (E_RNA)
where:
Base-Base interactions energy: -231.958
where: short stacking energy: -99.033
Base-Backbone interact. energy: -0.970
local terms energy: -105.786605
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -22.924
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: 59
Temperature: 1.000000
Total energy: -305.513133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.513133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.513133 (E_RNA)
where:
Base-Base interactions energy: -200.743
where: short stacking energy: -95.139
Base-Backbone interact. energy: -0.301
local terms energy: -104.468732
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -285.515580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.515580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.515580 (E_RNA)
where:
Base-Base interactions energy: -171.973
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.027
local terms energy: -113.515519
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -28.079
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: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -284.932103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.932103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.932103 (E_RNA)
where:
Base-Base interactions energy: -188.376
where: short stacking energy: -71.654
Base-Backbone interact. energy: -1.199
local terms energy: -95.357506
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -266.293326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.293326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.293326 (E_RNA)
where:
Base-Base interactions energy: -165.670
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.621
local terms energy: -100.001647
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -259.807688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.807688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.807688 (E_RNA)
where:
Base-Base interactions energy: -173.802
where: short stacking energy: -80.343
Base-Backbone interact. energy: -0.315
local terms energy: -85.690844
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -15.350
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: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -250.290874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.290874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.290874 (E_RNA)
where:
Base-Base interactions energy: -161.289
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.087
local terms energy: -88.914801
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -134.349015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.349015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.349015 (E_RNA)
where:
Base-Base interactions energy: -60.928
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.054
local terms energy: -73.366416
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -15.057
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: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -117.573990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.573990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.573990 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.705
local terms energy: -76.641312
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -326.869353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.869353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.869353 (E_RNA)
where:
Base-Base interactions energy: -216.536
where: short stacking energy: -93.354
Base-Backbone interact. energy: 0.015
local terms energy: -110.348568
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -24.337
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: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -301.807653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.807653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.807653 (E_RNA)
where:
Base-Base interactions energy: -186.353
where: short stacking energy: -97.068
Base-Backbone interact. energy: -0.014
local terms energy: -115.440731
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -30.938
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: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -318.453654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.453654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.453654 (E_RNA)
where:
Base-Base interactions energy: -209.528
where: short stacking energy: -94.658
Base-Backbone interact. energy: -0.759
local terms energy: -108.165988
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -285.866953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.866953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.866953 (E_RNA)
where:
Base-Base interactions energy: -187.304
where: short stacking energy: -91.731
Base-Backbone interact. energy: -0.384
local terms energy: -98.178790
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -16.895
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: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -262.349467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.349467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.349467 (E_RNA)
where:
Base-Base interactions energy: -176.523
where: short stacking energy: -76.576
Base-Backbone interact. energy: -0.105
local terms energy: -85.722388
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -15.700
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: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -262.266750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.266750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.266750 (E_RNA)
where:
Base-Base interactions energy: -173.521
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.707
local terms energy: -88.038742
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -262.829294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.829294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.829294 (E_RNA)
where:
Base-Base interactions energy: -158.236
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.024
local terms energy: -104.568979
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -236.639532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.639532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.639532 (E_RNA)
where:
Base-Base interactions energy: -148.085
where: short stacking energy: -66.549
Base-Backbone interact. energy: 2.088
local terms energy: -90.642109
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -12.981
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: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -120.832398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.832398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.832398 (E_RNA)
where:
Base-Base interactions energy: -43.458
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.779
local terms energy: -76.595382
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -116.439058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.439058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.439058 (E_RNA)
where:
Base-Base interactions energy: -57.354
where: short stacking energy: -48.317
Base-Backbone interact. energy: -0.081
local terms energy: -59.003795
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -327.122656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.122656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.122656 (E_RNA)
where:
Base-Base interactions energy: -211.850
where: short stacking energy: -92.845
Base-Backbone interact. energy: -0.600
local terms energy: -114.672753
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -313.073973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.073973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.073973 (E_RNA)
where:
Base-Base interactions energy: -209.921
where: short stacking energy: -101.907
Base-Backbone interact. energy: -0.160
local terms energy: -102.993323
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -25.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -281.391992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.391992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.391992 (E_RNA)
where:
Base-Base interactions energy: -180.073
where: short stacking energy: -85.191
Base-Backbone interact. energy: -0.188
local terms energy: -101.130929
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -17.948
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: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -290.966720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.966720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.966720 (E_RNA)
where:
Base-Base interactions energy: -189.260
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.078
local terms energy: -101.628219
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -22.660
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: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -275.315252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.315252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.315252 (E_RNA)
where:
Base-Base interactions energy: -177.074
where: short stacking energy: -91.023
Base-Backbone interact. energy: -0.117
local terms energy: -98.124468
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -280.986738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.986738 (E_RNA)
where:
Base-Base interactions energy: -185.793
where: short stacking energy: -93.849
Base-Backbone interact. energy: -0.275
local terms energy: -94.918861
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -279.837447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.837447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.837447 (E_RNA)
where:
Base-Base interactions energy: -184.060
where: short stacking energy: -85.775
Base-Backbone interact. energy: -0.345
local terms energy: -95.432040
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -243.692364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.692364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.692364 (E_RNA)
where:
Base-Base interactions energy: -163.626
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.509
local terms energy: -79.558039
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -127.529818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.529818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.529818 (E_RNA)
where:
Base-Base interactions energy: -48.183
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.377
local terms energy: -78.969147
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -210.753428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.753428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.753428 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -55.386
Base-Backbone interact. energy: -0.664
local terms energy: -83.830675
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -324.124115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.124115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.124115 (E_RNA)
where:
Base-Base interactions energy: -215.089
where: short stacking energy: -95.905
Base-Backbone interact. energy: -0.243
local terms energy: -108.792229
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -22.093
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: 62
Temperature: 0.950000
Total energy: -309.684549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.684549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.684549 (E_RNA)
where:
Base-Base interactions energy: -190.411
where: short stacking energy: -106.746
Base-Backbone interact. energy: 0.434
local terms energy: -119.707490
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -294.906084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.906084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.906084 (E_RNA)
where:
Base-Base interactions energy: -193.662
where: short stacking energy: -79.260
Base-Backbone interact. energy: -1.013
local terms energy: -100.230757
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -15.172
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: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -303.116811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.116811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.116811 (E_RNA)
where:
Base-Base interactions energy: -185.973
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.263
local terms energy: -116.881229
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -24.361
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: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -273.353048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.353048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.353048 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -77.035
Base-Backbone interact. energy: -0.504
local terms energy: -107.099839
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -267.740374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.740374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.740374 (E_RNA)
where:
Base-Base interactions energy: -168.077
where: short stacking energy: -85.060
Base-Backbone interact. energy: -0.290
local terms energy: -99.373305
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -260.032768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.032768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.032768 (E_RNA)
where:
Base-Base interactions energy: -159.389
where: short stacking energy: -82.929
Base-Backbone interact. energy: -0.067
local terms energy: -100.576474
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -241.148491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.148491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.148491 (E_RNA)
where:
Base-Base interactions energy: -158.601
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.376
local terms energy: -82.171031
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -10.663
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: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -232.883242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.883242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883242 (E_RNA)
where:
Base-Base interactions energy: -150.905
where: short stacking energy: -67.118
Base-Backbone interact. energy: 2.089
local terms energy: -84.066904
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -9.441
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -131.586494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.586494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.586494 (E_RNA)
where:
Base-Base interactions energy: -55.882
where: short stacking energy: -30.934
Base-Backbone interact. energy: -1.281
local terms energy: -74.423625
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -16.328
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: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -340.029074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.029074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.029074 (E_RNA)
where:
Base-Base interactions energy: -230.203
where: short stacking energy: -86.175
Base-Backbone interact. energy: -0.739
local terms energy: -109.087631
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -314.602434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.602434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.602434 (E_RNA)
where:
Base-Base interactions energy: -207.417
where: short stacking energy: -99.353
Base-Backbone interact. energy: -0.304
local terms energy: -106.881858
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -14.552
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: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -296.439376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.439376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.439376 (E_RNA)
where:
Base-Base interactions energy: -185.577
where: short stacking energy: -95.360
Base-Backbone interact. energy: -0.059
local terms energy: -110.804042
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -29.797
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: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -295.924066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.924066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.924066 (E_RNA)
where:
Base-Base interactions energy: -184.920
where: short stacking energy: -92.992
Base-Backbone interact. energy: -0.061
local terms energy: -110.943563
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -24.013
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: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -271.576222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.576222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.576222 (E_RNA)
where:
Base-Base interactions energy: -186.307
where: short stacking energy: -75.289
Base-Backbone interact. energy: -1.194
local terms energy: -84.075018
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -267.885699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.885699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.885699 (E_RNA)
where:
Base-Base interactions energy: -171.430
where: short stacking energy: -80.778
Base-Backbone interact. energy: -0.379
local terms energy: -96.076343
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -246.583400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.583400 (E_RNA)
where:
Base-Base interactions energy: -152.152
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.147
local terms energy: -94.283924
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -16.860
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: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -246.392914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.392914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392914 (E_RNA)
where:
Base-Base interactions energy: -162.349
where: short stacking energy: -70.507
Base-Backbone interact. energy: 2.862
local terms energy: -86.905442
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -17.205
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -225.199876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.199876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.199876 (E_RNA)
where:
Base-Base interactions energy: -148.476
where: short stacking energy: -63.170
Base-Backbone interact. energy: 0.331
local terms energy: -77.054754
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -11.035
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: 63
Temperature: 1.350000
Total energy: -114.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.774737 (E_RNA)
where:
Base-Base interactions energy: -31.216
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.363
local terms energy: -83.196578
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -339.779529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.779529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.779529 (E_RNA)
where:
Base-Base interactions energy: -227.951
where: short stacking energy: -90.920
Base-Backbone interact. energy: 0.358
local terms energy: -112.186775
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -302.087306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.087306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.087306 (E_RNA)
where:
Base-Base interactions energy: -192.668
where: short stacking energy: -95.513
Base-Backbone interact. energy: -1.946
local terms energy: -107.473841
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -24.441
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: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -313.593088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.593088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.593088 (E_RNA)
where:
Base-Base interactions energy: -201.977
where: short stacking energy: -96.951
Base-Backbone interact. energy: -0.773
local terms energy: -110.843468
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -29.347
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: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -294.343145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.343145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.343145 (E_RNA)
where:
Base-Base interactions energy: -182.799
where: short stacking energy: -94.533
Base-Backbone interact. energy: -0.016
local terms energy: -111.528930
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -277.283687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.283687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.283687 (E_RNA)
where:
Base-Base interactions energy: -168.290
where: short stacking energy: -85.195
Base-Backbone interact. energy: -0.817
local terms energy: -108.176827
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -13.464
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: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -263.897647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.897647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.897647 (E_RNA)
where:
Base-Base interactions energy: -172.897
where: short stacking energy: -90.190
Base-Backbone interact. energy: -0.340
local terms energy: -90.661139
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -271.797616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.797616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.797616 (E_RNA)
where:
Base-Base interactions energy: -177.061
where: short stacking energy: -96.214
Base-Backbone interact. energy: 1.564
local terms energy: -96.300359
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -20.829
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: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -242.671413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.671413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.671413 (E_RNA)
where:
Base-Base interactions energy: -153.530
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.958
local terms energy: -88.183421
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -11.568
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: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -204.734916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.734916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.734916 (E_RNA)
where:
Base-Base interactions energy: -124.876
where: short stacking energy: -45.346
Base-Backbone interact. energy: -0.782
local terms energy: -79.077375
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -117.725718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.725718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.725718 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -42.378
Base-Backbone interact. energy: -0.927
local terms energy: -72.950574
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -4.138
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: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -342.740284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.740284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.740284 (E_RNA)
where:
Base-Base interactions energy: -235.215
where: short stacking energy: -90.507
Base-Backbone interact. energy: -1.222
local terms energy: -106.303432
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -25.034
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -314.707942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.707942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.707942 (E_RNA)
where:
Base-Base interactions energy: -213.343
where: short stacking energy: -97.144
Base-Backbone interact. energy: 1.446
local terms energy: -102.810783
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -15.436
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: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -305.121460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.121460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.121460 (E_RNA)
where:
Base-Base interactions energy: -192.569
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.860
local terms energy: -111.692842
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -286.590448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.590448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.590448 (E_RNA)
where:
Base-Base interactions energy: -182.935
where: short stacking energy: -85.085
Base-Backbone interact. energy: -1.495
local terms energy: -102.160428
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -273.449827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.449827 (E_RNA)
where:
Base-Base interactions energy: -170.253
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.043
local terms energy: -103.153312
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -14.167
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: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -279.502114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.502114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.502114 (E_RNA)
where:
Base-Base interactions energy: -195.368
where: short stacking energy: -66.803
Base-Backbone interact. energy: -0.956
local terms energy: -83.177866
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -14.926
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: 65
Temperature: 1.200000
Total energy: -256.184143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.184143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.184143 (E_RNA)
where:
Base-Base interactions energy: -167.779
where: short stacking energy: -84.028
Base-Backbone interact. energy: -0.084
local terms energy: -88.320343
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -11.551
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: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -250.630567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.630567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.630567 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.143
local terms energy: -92.744239
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -20.535
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: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -208.398525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.398525 (E_RNA)
where:
Base-Base interactions energy: -121.901
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.476
local terms energy: -86.021808
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -13.816
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: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -102.701791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.701791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.701791 (E_RNA)
where:
Base-Base interactions energy: -38.089
where: short stacking energy: -37.267
Base-Backbone interact. energy: -1.004
local terms energy: -63.608942
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -3.722
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: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -336.977071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.977071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.977071 (E_RNA)
where:
Base-Base interactions energy: -220.243
where: short stacking energy: -115.065
Base-Backbone interact. energy: -0.093
local terms energy: -116.641640
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -28.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -327.214243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.214243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.214243 (E_RNA)
where:
Base-Base interactions energy: -218.684
where: short stacking energy: -95.980
Base-Backbone interact. energy: -0.298
local terms energy: -108.233068
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -294.613246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.613246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.613246 (E_RNA)
where:
Base-Base interactions energy: -197.095
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.241
local terms energy: -97.277434
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -282.160635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.160635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.160635 (E_RNA)
where:
Base-Base interactions energy: -170.878
where: short stacking energy: -78.564
Base-Backbone interact. energy: -0.046
local terms energy: -111.236957
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -309.845504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.845504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.845504 (E_RNA)
where:
Base-Base interactions energy: -215.581
where: short stacking energy: -78.996
Base-Backbone interact. energy: -0.369
local terms energy: -93.895188
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -16.522
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: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -263.844721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.844721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.844721 (E_RNA)
where:
Base-Base interactions energy: -170.583
where: short stacking energy: -77.655
Base-Backbone interact. energy: 0.215
local terms energy: -93.476769
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -15.249
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: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -245.040325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.040325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.040325 (E_RNA)
where:
Base-Base interactions energy: -152.381
where: short stacking energy: -66.618
Base-Backbone interact. energy: 3.178
local terms energy: -95.836658
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -271.722247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.722247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.722247 (E_RNA)
where:
Base-Base interactions energy: -170.957
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.462
local terms energy: -100.303375
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -20.585
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: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -196.321103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.321103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.321103 (E_RNA)
where:
Base-Base interactions energy: -107.411
where: short stacking energy: -56.332
Base-Backbone interact. energy: 1.247
local terms energy: -90.157239
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -114.899686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.899686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.899686 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -40.300
Base-Backbone interact. energy: 0.502
local terms energy: -70.226769
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -337.203096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.203096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.203096 (E_RNA)
where:
Base-Base interactions energy: -228.604
where: short stacking energy: -93.855
Base-Backbone interact. energy: -0.175
local terms energy: -108.424020
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -309.824710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.824710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.824710 (E_RNA)
where:
Base-Base interactions energy: -206.045
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.197
local terms energy: -103.582197
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -291.505130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.505130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.505130 (E_RNA)
where:
Base-Base interactions energy: -187.042
where: short stacking energy: -76.222
Base-Backbone interact. energy: -0.154
local terms energy: -104.308753
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -312.096674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.096674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.096674 (E_RNA)
where:
Base-Base interactions energy: -206.487
where: short stacking energy: -92.099
Base-Backbone interact. energy: -0.213
local terms energy: -105.395893
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -23.735
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: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -273.698137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698137 (E_RNA)
where:
Base-Base interactions energy: -173.743
where: short stacking energy: -89.455
Base-Backbone interact. energy: -0.116
local terms energy: -99.839851
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -262.737542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.737542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.737542 (E_RNA)
where:
Base-Base interactions energy: -173.785
where: short stacking energy: -77.888
Base-Backbone interact. energy: -0.379
local terms energy: -88.574313
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -265.845725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.845725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.845725 (E_RNA)
where:
Base-Base interactions energy: -166.598
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.804
local terms energy: -98.443973
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -25.254
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -221.790796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.790796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.790796 (E_RNA)
where:
Base-Base interactions energy: -130.096
where: short stacking energy: -61.083
Base-Backbone interact. energy: 0.410
local terms energy: -92.105144
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -13.506
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: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -249.245425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.245425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.245425 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.241
local terms energy: -81.082840
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -16.614
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -102.657754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657754 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.277
local terms energy: -74.259524
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -0.126
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: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -323.011794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.011794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.011794 (E_RNA)
where:
Base-Base interactions energy: -217.557
where: short stacking energy: -110.861
Base-Backbone interact. energy: -0.103
local terms energy: -105.351843
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -28.758
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: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -330.125789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.125789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.125789 (E_RNA)
where:
Base-Base interactions energy: -214.831
where: short stacking energy: -89.089
Base-Backbone interact. energy: -0.753
local terms energy: -114.541208
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -24.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -309.958631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.958631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.958631 (E_RNA)
where:
Base-Base interactions energy: -198.926
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.082
local terms energy: -110.950332
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -272.674646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.674646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.674646 (E_RNA)
where:
Base-Base interactions energy: -172.395
where: short stacking energy: -85.918
Base-Backbone interact. energy: -0.207
local terms energy: -100.073473
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -25.145
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -293.413543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.413543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.413543 (E_RNA)
where:
Base-Base interactions energy: -189.679
where: short stacking energy: -87.228
Base-Backbone interact. energy: -2.702
local terms energy: -101.032850
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -256.178853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.178853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.178853 (E_RNA)
where:
Base-Base interactions energy: -158.048
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.025
local terms energy: -98.106028
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -259.397646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.397646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.397646 (E_RNA)
where:
Base-Base interactions energy: -179.776
where: short stacking energy: -72.757
Base-Backbone interact. energy: -0.466
local terms energy: -79.155750
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -207.719841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.719841 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -52.846
Base-Backbone interact. energy: -0.326
local terms energy: -77.347235
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -238.685243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.685243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.685243 (E_RNA)
where:
Base-Base interactions energy: -162.564
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.168
local terms energy: -75.953391
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -120.535020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.535020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.535020 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -37.788
Base-Backbone interact. energy: -0.126
local terms energy: -81.953924
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -336.183196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.183196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.183196 (E_RNA)
where:
Base-Base interactions energy: -220.343
where: short stacking energy: -105.156
Base-Backbone interact. energy: -0.117
local terms energy: -115.723670
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -321.175718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.175718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.175718 (E_RNA)
where:
Base-Base interactions energy: -207.152
where: short stacking energy: -96.220
Base-Backbone interact. energy: -0.147
local terms energy: -113.876275
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -26.267
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: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -316.354692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.354692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.354692 (E_RNA)
where:
Base-Base interactions energy: -212.667
where: short stacking energy: -91.139
Base-Backbone interact. energy: 0.665
local terms energy: -104.352558
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -22.797
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: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -289.845422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.845422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.845422 (E_RNA)
where:
Base-Base interactions energy: -183.075
where: short stacking energy: -86.461
Base-Backbone interact. energy: 0.126
local terms energy: -106.896483
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -281.244676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.244676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.244676 (E_RNA)
where:
Base-Base interactions energy: -174.573
where: short stacking energy: -88.119
Base-Backbone interact. energy: -0.545
local terms energy: -106.126880
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -279.794891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.794891 (E_RNA)
where:
Base-Base interactions energy: -176.365
where: short stacking energy: -86.741
Base-Backbone interact. energy: 0.299
local terms energy: -103.728987
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -281.818317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.818317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.818317 (E_RNA)
where:
Base-Base interactions energy: -191.476
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.205
local terms energy: -90.136847
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -257.417249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.417249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.417249 (E_RNA)
where:
Base-Base interactions energy: -172.353
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.131
local terms energy: -84.934013
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -12.738
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: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -207.154500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.154500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.154500 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.125
local terms energy: -74.947009
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -106.254330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.254330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.254330 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -30.794
Base-Backbone interact. energy: -0.765
local terms energy: -74.694583
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -334.850392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.850392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.850392 (E_RNA)
where:
Base-Base interactions energy: -221.349
where: short stacking energy: -109.582
Base-Backbone interact. energy: -0.029
local terms energy: -113.471697
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -31.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -305.059718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.059718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.059718 (E_RNA)
where:
Base-Base interactions energy: -193.240
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.129
local terms energy: -111.691422
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -23.634
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -319.161766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.161766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.161766 (E_RNA)
where:
Base-Base interactions energy: -206.011
where: short stacking energy: -90.769
Base-Backbone interact. energy: -0.260
local terms energy: -112.890591
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -312.017855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.017855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.017855 (E_RNA)
where:
Base-Base interactions energy: -212.161
where: short stacking energy: -98.801
Base-Backbone interact. energy: -0.012
local terms energy: -99.845653
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -272.200509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.200509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.200509 (E_RNA)
where:
Base-Base interactions energy: -176.627
where: short stacking energy: -82.555
Base-Backbone interact. energy: -0.027
local terms energy: -95.546272
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -21.225
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -261.311394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.311394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.311394 (E_RNA)
where:
Base-Base interactions energy: -173.286
where: short stacking energy: -86.458
Base-Backbone interact. energy: -0.571
local terms energy: -87.454325
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -255.667773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.667773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.667773 (E_RNA)
where:
Base-Base interactions energy: -171.646
where: short stacking energy: -75.026
Base-Backbone interact. energy: -0.383
local terms energy: -83.638970
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -268.068837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.068837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.068837 (E_RNA)
where:
Base-Base interactions energy: -167.368
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.283
local terms energy: -100.418029
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -124.872370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.872370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.872370 (E_RNA)
where:
Base-Base interactions energy: -46.379
where: short stacking energy: -46.379
Base-Backbone interact. energy: -0.093
local terms energy: -78.399929
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -202.984412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.984412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.984412 (E_RNA)
where:
Base-Base interactions energy: -115.126
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.246
local terms energy: -87.612610
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -334.075830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.075830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.075830 (E_RNA)
where:
Base-Base interactions energy: -218.767
where: short stacking energy: -108.270
Base-Backbone interact. energy: -0.052
local terms energy: -115.256622
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -34.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -331.527479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.527479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.527479 (E_RNA)
where:
Base-Base interactions energy: -235.246
where: short stacking energy: -102.321
Base-Backbone interact. energy: 0.178
local terms energy: -96.459666
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -13.492
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: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -300.862725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.862725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.862725 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.967
local terms energy: -115.762037
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -18.408
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: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -278.738979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.738979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.738979 (E_RNA)
where:
Base-Base interactions energy: -175.190
where: short stacking energy: -80.794
Base-Backbone interact. energy: 0.090
local terms energy: -103.638764
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -301.605761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.605761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.605761 (E_RNA)
where:
Base-Base interactions energy: -195.393
where: short stacking energy: -93.212
Base-Backbone interact. energy: -0.013
local terms energy: -106.199549
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -14.073
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: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -257.097438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.097438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.097438 (E_RNA)
where:
Base-Base interactions energy: -162.342
where: short stacking energy: -77.010
Base-Backbone interact. energy: 0.579
local terms energy: -95.334382
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -270.919084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.919084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.919084 (E_RNA)
where:
Base-Base interactions energy: -175.920
where: short stacking energy: -82.023
Base-Backbone interact. energy: -0.183
local terms energy: -94.816704
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -20.327
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: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -233.340913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.340913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.340913 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.718
local terms energy: -81.360103
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -8.303
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -120.433834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.433834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.433834 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.273
local terms energy: -84.483376
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -5.393
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -227.593653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.593653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.593653 (E_RNA)
where:
Base-Base interactions energy: -149.292
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.530
local terms energy: -77.771523
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -334.812985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.812985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.812985 (E_RNA)
where:
Base-Base interactions energy: -229.943
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.130
local terms energy: -104.740579
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -15.960
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: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -302.856799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.856799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.856799 (E_RNA)
where:
Base-Base interactions energy: -205.792
where: short stacking energy: -85.951
Base-Backbone interact. energy: -0.439
local terms energy: -96.626437
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -21.860
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -294.482453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.482453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.482453 (E_RNA)
where:
Base-Base interactions energy: -193.466
where: short stacking energy: -99.398
Base-Backbone interact. energy: -0.040
local terms energy: -100.976254
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -23.592
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: 72
Temperature: 1.050000
Total energy: -291.900579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.900579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.900579 (E_RNA)
where:
Base-Base interactions energy: -198.239
where: short stacking energy: -79.233
Base-Backbone interact. energy: -1.765
local terms energy: -91.896600
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.340
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -275.010060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.010060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.010060 (E_RNA)
where:
Base-Base interactions energy: -189.863
where: short stacking energy: -85.430
Base-Backbone interact. energy: -0.580
local terms energy: -84.566672
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -289.336487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.336487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.336487 (E_RNA)
where:
Base-Base interactions energy: -177.304
where: short stacking energy: -87.907
Base-Backbone interact. energy: -0.081
local terms energy: -111.952238
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -19.430
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -260.092717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.092717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.092717 (E_RNA)
where:
Base-Base interactions energy: -161.578
where: short stacking energy: -77.873
Base-Backbone interact. energy: -1.511
local terms energy: -97.003318
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -18.723
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -251.927205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.927205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.927205 (E_RNA)
where:
Base-Base interactions energy: -156.953
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.631
local terms energy: -94.343157
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -15.948
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: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -249.180044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.180044 (E_RNA)
where:
Base-Base interactions energy: -158.054
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.177
local terms energy: -90.949231
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -112.345036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.345036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.345036 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -29.870
Base-Backbone interact. energy: -0.488
local terms energy: -74.143443
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: 4.771
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: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -329.323469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.323469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.323469 (E_RNA)
where:
Base-Base interactions energy: -213.569
where: short stacking energy: -94.746
Base-Backbone interact. energy: -0.603
local terms energy: -115.151345
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -18.227
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: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -304.879936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.879936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.879936 (E_RNA)
where:
Base-Base interactions energy: -196.734
where: short stacking energy: -93.156
Base-Backbone interact. energy: -0.125
local terms energy: -108.020995
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -296.427529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.427529 (E_RNA)
where:
Base-Base interactions energy: -189.211
where: short stacking energy: -92.747
Base-Backbone interact. energy: -0.309
local terms energy: -106.907597
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -15.732
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: 73
Temperature: 1.050000
Total energy: -288.058079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.058079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.058079 (E_RNA)
where:
Base-Base interactions energy: -183.003
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.117
local terms energy: -104.937659
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -274.965158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.965158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.965158 (E_RNA)
where:
Base-Base interactions energy: -183.408
where: short stacking energy: -70.620
Base-Backbone interact. energy: -1.115
local terms energy: -90.441509
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -260.254284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.254284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.254284 (E_RNA)
where:
Base-Base interactions energy: -163.041
where: short stacking energy: -66.551
Base-Backbone interact. energy: 1.406
local terms energy: -98.619204
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -250.380342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.380342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.380342 (E_RNA)
where:
Base-Base interactions energy: -157.433
where: short stacking energy: -79.373
Base-Backbone interact. energy: -0.077
local terms energy: -92.869459
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -251.259828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.259828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.259828 (E_RNA)
where:
Base-Base interactions energy: -163.294
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.538
local terms energy: -87.428258
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -17.914
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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -244.267766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.267766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.267766 (E_RNA)
where:
Base-Base interactions energy: -157.401
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.235
local terms energy: -86.631380
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -152.180669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.180669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.180669 (E_RNA)
where:
Base-Base interactions energy: -80.847
where: short stacking energy: -40.961
Base-Backbone interact. energy: 1.297
local terms energy: -72.631031
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -343.662672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.662672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.662672 (E_RNA)
where:
Base-Base interactions energy: -228.363
where: short stacking energy: -102.606
Base-Backbone interact. energy: -0.340
local terms energy: -114.959670
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -310.130677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.130677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.130677 (E_RNA)
where:
Base-Base interactions energy: -198.736
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.200
local terms energy: -111.194826
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -302.021377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.021377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.021377 (E_RNA)
where:
Base-Base interactions energy: -200.161
where: short stacking energy: -95.580
Base-Backbone interact. energy: -0.140
local terms energy: -101.720054
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -280.826847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.826847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.826847 (E_RNA)
where:
Base-Base interactions energy: -174.414
where: short stacking energy: -86.326
Base-Backbone interact. energy: -0.003
local terms energy: -106.409461
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -23.190
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -279.440166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.440166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.440166 (E_RNA)
where:
Base-Base interactions energy: -182.553
where: short stacking energy: -81.255
Base-Backbone interact. energy: 0.449
local terms energy: -97.336493
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -19.049
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: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -271.251840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.251840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.251840 (E_RNA)
where:
Base-Base interactions energy: -166.842
where: short stacking energy: -74.959
Base-Backbone interact. energy: -0.087
local terms energy: -104.323190
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -246.260671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.260671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.260671 (E_RNA)
where:
Base-Base interactions energy: -161.019
where: short stacking energy: -74.670
Base-Backbone interact. energy: 0.581
local terms energy: -85.822108
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -256.009225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.009225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.009225 (E_RNA)
where:
Base-Base interactions energy: -159.753
where: short stacking energy: -76.908
Base-Backbone interact. energy: -0.374
local terms energy: -95.882109
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -217.928611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.928611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.928611 (E_RNA)
where:
Base-Base interactions energy: -133.285
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.129
local terms energy: -84.514551
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -238.803207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.803207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.803207 (E_RNA)
where:
Base-Base interactions energy: -155.879
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.147
local terms energy: -82.777076
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -15.951
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: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -349.067316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.067316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.067316 (E_RNA)
where:
Base-Base interactions energy: -230.463
where: short stacking energy: -102.258
Base-Backbone interact. energy: -0.347
local terms energy: -118.256929
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -317.414334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.414334 (E_RNA)
where:
Base-Base interactions energy: -211.125
where: short stacking energy: -98.024
Base-Backbone interact. energy: -0.190
local terms energy: -106.099491
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -14.162
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: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -319.307470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.307470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.307470 (E_RNA)
where:
Base-Base interactions energy: -220.272
where: short stacking energy: -96.108
Base-Backbone interact. energy: -0.140
local terms energy: -98.895501
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -283.971853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.971853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971853 (E_RNA)
where:
Base-Base interactions energy: -180.773
where: short stacking energy: -85.507
Base-Backbone interact. energy: -0.943
local terms energy: -102.255394
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -274.451329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.451329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.451329 (E_RNA)
where:
Base-Base interactions energy: -181.928
where: short stacking energy: -72.305
Base-Backbone interact. energy: -0.128
local terms energy: -92.396223
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -259.317165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.317165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.317165 (E_RNA)
where:
Base-Base interactions energy: -162.128
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.104
local terms energy: -97.085895
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -270.424828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.424828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.424828 (E_RNA)
where:
Base-Base interactions energy: -163.543
where: short stacking energy: -84.740
Base-Backbone interact. energy: -0.092
local terms energy: -106.790274
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -21.809
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: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -256.972628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.972628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.972628 (E_RNA)
where:
Base-Base interactions energy: -167.582
where: short stacking energy: -82.291
Base-Backbone interact. energy: -0.119
local terms energy: -89.271152
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -201.428515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.428515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.428515 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -61.199
Base-Backbone interact. energy: 2.785
local terms energy: -77.171683
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -194.676518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.676518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.676518 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -59.395
Base-Backbone interact. energy: 1.409
local terms energy: -69.920572
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -343.062091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.062091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.062091 (E_RNA)
where:
Base-Base interactions energy: -231.189
where: short stacking energy: -102.635
Base-Backbone interact. energy: -0.378
local terms energy: -111.495062
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -27.009
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: 76
Temperature: 0.950000
Total energy: -317.918841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.918841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.918841 (E_RNA)
where:
Base-Base interactions energy: -209.395
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.213
local terms energy: -108.311363
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -295.058255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.058255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.058255 (E_RNA)
where:
Base-Base interactions energy: -185.871
where: short stacking energy: -98.378
Base-Backbone interact. energy: -0.085
local terms energy: -109.102010
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -25.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -297.292654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.292654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.292654 (E_RNA)
where:
Base-Base interactions energy: -196.584
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.376
local terms energy: -100.332435
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -272.730816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.730816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.730816 (E_RNA)
where:
Base-Base interactions energy: -179.545
where: short stacking energy: -81.167
Base-Backbone interact. energy: -0.506
local terms energy: -92.679547
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -260.346831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.346831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.346831 (E_RNA)
where:
Base-Base interactions energy: -175.168
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.041
local terms energy: -85.137679
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -12.456
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: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -266.063964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.063964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.063964 (E_RNA)
where:
Base-Base interactions energy: -171.040
where: short stacking energy: -75.873
Base-Backbone interact. energy: -0.164
local terms energy: -94.859639
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -18.979
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -243.284365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.284365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.284365 (E_RNA)
where:
Base-Base interactions energy: -149.992
where: short stacking energy: -62.306
Base-Backbone interact. energy: 0.027
local terms energy: -93.319136
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -13.758
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: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -230.836443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.836443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.836443 (E_RNA)
where:
Base-Base interactions energy: -144.879
where: short stacking energy: -59.236
Base-Backbone interact. energy: 0.585
local terms energy: -86.542210
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -6.886
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: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -198.000576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.000576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000576 (E_RNA)
where:
Base-Base interactions energy: -117.767
where: short stacking energy: -56.715
Base-Backbone interact. energy: -1.256
local terms energy: -78.977384
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -340.384882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.384882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.384882 (E_RNA)
where:
Base-Base interactions energy: -227.804
where: short stacking energy: -107.977
Base-Backbone interact. energy: -0.147
local terms energy: -112.433439
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -307.371859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.371859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.371859 (E_RNA)
where:
Base-Base interactions energy: -201.482
where: short stacking energy: -110.159
Base-Backbone interact. energy: -0.117
local terms energy: -105.771918
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -28.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -296.800890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.800890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.800890 (E_RNA)
where:
Base-Base interactions energy: -188.967
where: short stacking energy: -85.068
Base-Backbone interact. energy: -0.170
local terms energy: -107.663254
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -22.715
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: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -287.527962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.527962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.527962 (E_RNA)
where:
Base-Base interactions energy: -181.899
where: short stacking energy: -90.888
Base-Backbone interact. energy: -0.357
local terms energy: -105.271724
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -282.975675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.975675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.975675 (E_RNA)
where:
Base-Base interactions energy: -176.809
where: short stacking energy: -76.523
Base-Backbone interact. energy: -0.120
local terms energy: -106.046735
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -20.380
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: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -267.294629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.294629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.294629 (E_RNA)
where:
Base-Base interactions energy: -175.477
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.103
local terms energy: -91.714020
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -256.369219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.369219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.369219 (E_RNA)
where:
Base-Base interactions energy: -165.843
where: short stacking energy: -80.753
Base-Backbone interact. energy: -0.105
local terms energy: -90.420760
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -226.699153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.699153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.699153 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -62.708
Base-Backbone interact. energy: 0.084
local terms energy: -90.148723
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -9.139
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: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -226.184284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.184284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.184284 (E_RNA)
where:
Base-Base interactions energy: -150.188
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.103
local terms energy: -75.893666
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -205.250643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.250643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250643 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.498
local terms energy: -70.839143
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -344.250569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.250569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.250569 (E_RNA)
where:
Base-Base interactions energy: -222.597
where: short stacking energy: -107.916
Base-Backbone interact. energy: -0.088
local terms energy: -121.566449
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -29.272
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -309.497968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.497968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.497968 (E_RNA)
where:
Base-Base interactions energy: -200.832
where: short stacking energy: -96.694
Base-Backbone interact. energy: -0.642
local terms energy: -108.023330
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -296.032642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.032642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.032642 (E_RNA)
where:
Base-Base interactions energy: -198.855
where: short stacking energy: -93.497
Base-Backbone interact. energy: -0.119
local terms energy: -97.058885
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -11.357
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: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -308.581005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.581005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.581005 (E_RNA)
where:
Base-Base interactions energy: -211.320
where: short stacking energy: -88.293
Base-Backbone interact. energy: -0.172
local terms energy: -97.088953
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -14.267
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: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -303.544640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.544640 (E_RNA)
where:
Base-Base interactions energy: -200.198
where: short stacking energy: -81.586
Base-Backbone interact. energy: -0.906
local terms energy: -102.440600
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -296.951721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.951721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.951721 (E_RNA)
where:
Base-Base interactions energy: -198.514
where: short stacking energy: -74.888
Base-Backbone interact. energy: -0.277
local terms energy: -98.160471
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -16.162
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: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -258.996817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.996817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.996817 (E_RNA)
where:
Base-Base interactions energy: -165.213
where: short stacking energy: -75.410
Base-Backbone interact. energy: -0.693
local terms energy: -93.090892
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -13.945
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -233.440791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.440791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.440791 (E_RNA)
where:
Base-Base interactions energy: -151.803
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.444
local terms energy: -81.194432
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -240.511270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.511270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.511270 (E_RNA)
where:
Base-Base interactions energy: -156.981
where: short stacking energy: -74.545
Base-Backbone interact. energy: -0.108
local terms energy: -83.422492
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -181.549046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.549046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.549046 (E_RNA)
where:
Base-Base interactions energy: -107.713
where: short stacking energy: -44.512
Base-Backbone interact. energy: -0.621
local terms energy: -73.214891
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -336.863582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.863582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.863582 (E_RNA)
where:
Base-Base interactions energy: -224.882
where: short stacking energy: -91.524
Base-Backbone interact. energy: -1.164
local terms energy: -110.816936
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -304.624196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.624196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.624196 (E_RNA)
where:
Base-Base interactions energy: -192.440
where: short stacking energy: -86.645
Base-Backbone interact. energy: -0.210
local terms energy: -111.973703
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -13.245
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -291.893527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.893527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.893527 (E_RNA)
where:
Base-Base interactions energy: -190.513
where: short stacking energy: -76.383
Base-Backbone interact. energy: 0.148
local terms energy: -101.528943
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -317.040003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.040003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.040003 (E_RNA)
where:
Base-Base interactions energy: -218.658
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.204
local terms energy: -98.178642
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -278.937684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.937684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.937684 (E_RNA)
where:
Base-Base interactions energy: -186.972
where: short stacking energy: -84.381
Base-Backbone interact. energy: -0.143
local terms energy: -91.823032
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -263.869521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.869521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.869521 (E_RNA)
where:
Base-Base interactions energy: -170.898
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.394
local terms energy: -92.577705
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -272.125672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.125672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.125672 (E_RNA)
where:
Base-Base interactions energy: -171.675
where: short stacking energy: -75.321
Base-Backbone interact. energy: -1.458
local terms energy: -98.992293
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -256.377173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.377173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.377173 (E_RNA)
where:
Base-Base interactions energy: -163.812
where: short stacking energy: -75.046
Base-Backbone interact. energy: 5.204
local terms energy: -97.769324
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -10.441
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: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -173.299907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.299907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.299907 (E_RNA)
where:
Base-Base interactions energy: -95.773
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.169
local terms energy: -77.358384
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -205.912036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.912036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.912036 (E_RNA)
where:
Base-Base interactions energy: -123.685
where: short stacking energy: -57.218
Base-Backbone interact. energy: 1.265
local terms energy: -83.492028
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -15.070
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: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -334.521012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.521012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.521012 (E_RNA)
where:
Base-Base interactions energy: -213.709
where: short stacking energy: -97.557
Base-Backbone interact. energy: -0.080
local terms energy: -120.732508
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -290.680782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.680782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.680782 (E_RNA)
where:
Base-Base interactions energy: -182.806
where: short stacking energy: -93.848
Base-Backbone interact. energy: -0.577
local terms energy: -107.297407
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -294.559677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.559677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.559677 (E_RNA)
where:
Base-Base interactions energy: -190.963
where: short stacking energy: -87.447
Base-Backbone interact. energy: -0.255
local terms energy: -103.341535
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -14.359
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: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -290.849808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.849808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.849808 (E_RNA)
where:
Base-Base interactions energy: -193.742
where: short stacking energy: -94.404
Base-Backbone interact. energy: -0.144
local terms energy: -96.963444
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -279.719522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.719522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.719522 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.051
local terms energy: -103.076286
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -251.624980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.624980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.624980 (E_RNA)
where:
Base-Base interactions energy: -162.511
where: short stacking energy: -81.686
Base-Backbone interact. energy: 0.238
local terms energy: -89.352612
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -243.004373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.004373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.004373 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.359
local terms energy: -95.045618
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -13.799
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -261.286443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.286443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.286443 (E_RNA)
where:
Base-Base interactions energy: -166.625
where: short stacking energy: -73.667
Base-Backbone interact. energy: 2.839
local terms energy: -97.499720
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -199.874030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.874030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.874030 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -59.613
Base-Backbone interact. energy: 0.370
local terms energy: -77.622918
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -190.511600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.511600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.511600 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -55.533
Base-Backbone interact. energy: 0.179
local terms energy: -77.693619
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -8.718
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -336.783707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.783707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.783707 (E_RNA)
where:
Base-Base interactions energy: -221.388
where: short stacking energy: -102.431
Base-Backbone interact. energy: -0.125
local terms energy: -115.271347
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -21.960
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: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -331.188540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.188540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.188540 (E_RNA)
where:
Base-Base interactions energy: -222.335
where: short stacking energy: -93.652
Base-Backbone interact. energy: -1.190
local terms energy: -107.663483
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -12.158
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: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -284.558458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.558458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.558458 (E_RNA)
where:
Base-Base interactions energy: -177.339
where: short stacking energy: -84.816
Base-Backbone interact. energy: -1.224
local terms energy: -105.995445
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -19.462
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -285.745671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.745671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.745671 (E_RNA)
where:
Base-Base interactions energy: -184.525
where: short stacking energy: -81.850
Base-Backbone interact. energy: -0.245
local terms energy: -100.976083
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -25.420
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -259.834559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.834559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.834559 (E_RNA)
where:
Base-Base interactions energy: -164.362
where: short stacking energy: -75.428
Base-Backbone interact. energy: 0.164
local terms energy: -95.636928
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -266.790890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.790890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.790890 (E_RNA)
where:
Base-Base interactions energy: -158.929
where: short stacking energy: -81.655
Base-Backbone interact. energy: -0.161
local terms energy: -107.701123
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -21.826
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: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -238.000435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.000435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.000435 (E_RNA)
where:
Base-Base interactions energy: -159.349
where: short stacking energy: -76.937
Base-Backbone interact. energy: -0.265
local terms energy: -78.386017
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -250.625669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.625669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.625669 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -70.599
Base-Backbone interact. energy: 0.646
local terms energy: -90.265371
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -17.199
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: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -195.237196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.237196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.237196 (E_RNA)
where:
Base-Base interactions energy: -129.821
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.862
local terms energy: -64.554220
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -8.907
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: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -188.446387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.446387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.446387 (E_RNA)
where:
Base-Base interactions energy: -111.581
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.216
local terms energy: -76.648909
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -7.908
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -325.384894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.384894 (E_RNA)
where:
Base-Base interactions energy: -210.210
where: short stacking energy: -93.552
Base-Backbone interact. energy: 2.491
local terms energy: -117.665474
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -24.284
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: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -305.074424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.074424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.074424 (E_RNA)
where:
Base-Base interactions energy: -202.666
where: short stacking energy: -96.458
Base-Backbone interact. energy: -0.622
local terms energy: -101.785897
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -24.659
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: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -295.471842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.471842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.471842 (E_RNA)
where:
Base-Base interactions energy: -184.536
where: short stacking energy: -97.491
Base-Backbone interact. energy: -0.024
local terms energy: -110.912625
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -277.349117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.349117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.349117 (E_RNA)
where:
Base-Base interactions energy: -176.362
where: short stacking energy: -90.331
Base-Backbone interact. energy: -0.238
local terms energy: -100.749033
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -272.922899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.922899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.922899 (E_RNA)
where:
Base-Base interactions energy: -176.786
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.249
local terms energy: -95.888058
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -258.547657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.547657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.547657 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -80.834
Base-Backbone interact. energy: -0.117
local terms energy: -98.022997
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -247.012932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.012932 (E_RNA)
where:
Base-Base interactions energy: -146.036
where: short stacking energy: -75.214
Base-Backbone interact. energy: 0.796
local terms energy: -101.772806
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -17.780
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -247.500491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.500491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.500491 (E_RNA)
where:
Base-Base interactions energy: -161.079
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.294
local terms energy: -86.127039
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -16.502
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -201.982574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.982574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.982574 (E_RNA)
where:
Base-Base interactions energy: -125.114
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.244
local terms energy: -76.624931
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -230.739271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.739271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.739271 (E_RNA)
where:
Base-Base interactions energy: -149.524
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.153
local terms energy: -81.063054
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -334.091459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.091459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.091459 (E_RNA)
where:
Base-Base interactions energy: -222.784
where: short stacking energy: -104.846
Base-Backbone interact. energy: -0.360
local terms energy: -110.947034
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -16.039
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: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -309.946246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.946246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.946246 (E_RNA)
where:
Base-Base interactions energy: -205.556
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.546
local terms energy: -103.844611
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -300.599324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.599324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.599324 (E_RNA)
where:
Base-Base interactions energy: -195.070
where: short stacking energy: -90.873
Base-Backbone interact. energy: -0.664
local terms energy: -104.865364
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -25.683
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -296.247747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.247747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.247747 (E_RNA)
where:
Base-Base interactions energy: -185.360
where: short stacking energy: -93.872
Base-Backbone interact. energy: -0.025
local terms energy: -110.862867
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -27.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -290.940544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.940544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.940544 (E_RNA)
where:
Base-Base interactions energy: -192.113
where: short stacking energy: -85.382
Base-Backbone interact. energy: -0.495
local terms energy: -98.332501
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -14.156
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: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -262.288818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.288818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.288818 (E_RNA)
where:
Base-Base interactions energy: -166.751
where: short stacking energy: -75.356
Base-Backbone interact. energy: -0.329
local terms energy: -95.208600
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -21.266
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: 83
Temperature: 1.200000
Total energy: -262.114687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.114687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.114687 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.124
local terms energy: -97.912303
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -246.017270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.017270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.017270 (E_RNA)
where:
Base-Base interactions energy: -158.848
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.667
local terms energy: -86.502454
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -16.948
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: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -204.710522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710522 (E_RNA)
where:
Base-Base interactions energy: -130.648
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.520
local terms energy: -73.542735
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -10.523
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: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -232.583019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.583019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.583019 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.513
local terms energy: -90.532894
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -11.057
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: 84
Temperature: 0.900000
Total energy: -324.089140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.089140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.089140 (E_RNA)
where:
Base-Base interactions energy: -216.190
where: short stacking energy: -100.525
Base-Backbone interact. energy: -1.108
local terms energy: -106.791712
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -333.248853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.248853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.248853 (E_RNA)
where:
Base-Base interactions energy: -227.371
where: short stacking energy: -98.036
Base-Backbone interact. energy: 1.511
local terms energy: -107.388688
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -291.022366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.022366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.022366 (E_RNA)
where:
Base-Base interactions energy: -189.466
where: short stacking energy: -76.273
Base-Backbone interact. energy: 0.453
local terms energy: -102.009387
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -292.665565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.665565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.665565 (E_RNA)
where:
Base-Base interactions energy: -189.874
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.006
local terms energy: -102.785738
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -28.662
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: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -286.920976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.920976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.920976 (E_RNA)
where:
Base-Base interactions energy: -183.908
where: short stacking energy: -81.867
Base-Backbone interact. energy: -0.950
local terms energy: -102.062747
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -270.585403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.585403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.585403 (E_RNA)
where:
Base-Base interactions energy: -166.744
where: short stacking energy: -81.317
Base-Backbone interact. energy: -0.132
local terms energy: -103.709910
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -19.591
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: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -252.195577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.195577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.195577 (E_RNA)
where:
Base-Base interactions energy: -156.585
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.463
local terms energy: -95.147494
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -14.494
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: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -247.680703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.680703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.680703 (E_RNA)
where:
Base-Base interactions energy: -160.693
where: short stacking energy: -75.315
Base-Backbone interact. energy: -0.204
local terms energy: -86.783590
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -219.419840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.419840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.419840 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -72.618
Base-Backbone interact. energy: 0.684
local terms energy: -64.535357
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -7.257
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -14.765
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: 84
Temperature: 1.350000
Total energy: -242.422386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.422386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.422386 (E_RNA)
where:
Base-Base interactions energy: -149.151
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.520
local terms energy: -92.751260
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -318.908968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.908968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.908968 (E_RNA)
where:
Base-Base interactions energy: -218.683
where: short stacking energy: -109.203
Base-Backbone interact. energy: 1.535
local terms energy: -101.760148
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -23.717
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: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -326.015993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.015993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.015993 (E_RNA)
where:
Base-Base interactions energy: -221.602
where: short stacking energy: -97.071
Base-Backbone interact. energy: -0.235
local terms energy: -104.179003
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -16.810
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -294.215029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.215029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.215029 (E_RNA)
where:
Base-Base interactions energy: -192.521
where: short stacking energy: -88.990
Base-Backbone interact. energy: -0.328
local terms energy: -101.366191
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -285.615620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.615620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.615620 (E_RNA)
where:
Base-Base interactions energy: -188.980
where: short stacking energy: -85.155
Base-Backbone interact. energy: -0.082
local terms energy: -96.553638
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -11.943
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: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -285.173437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.173437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.173437 (E_RNA)
where:
Base-Base interactions energy: -200.080
where: short stacking energy: -87.522
Base-Backbone interact. energy: -0.173
local terms energy: -84.920956
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -265.791573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.791573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.791573 (E_RNA)
where:
Base-Base interactions energy: -175.801
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.085
local terms energy: -89.905774
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -23.763
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -269.191989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.191989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.191989 (E_RNA)
where:
Base-Base interactions energy: -177.917
where: short stacking energy: -66.509
Base-Backbone interact. energy: -0.064
local terms energy: -91.210926
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -188.306471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306471 (E_RNA)
where:
Base-Base interactions energy: -113.036
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.042
local terms energy: -75.229103
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -251.779616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.779616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.779616 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -85.876
Base-Backbone interact. energy: -0.142
local terms energy: -85.815524
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -225.684435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.684435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.684435 (E_RNA)
where:
Base-Base interactions energy: -149.117
where: short stacking energy: -61.983
Base-Backbone interact. energy: 1.529
local terms energy: -78.095584
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -346.264223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.264223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.264223 (E_RNA)
where:
Base-Base interactions energy: -230.352
where: short stacking energy: -107.386
Base-Backbone interact. energy: -0.261
local terms energy: -115.651636
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -29.388
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: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -314.654080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.654080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.654080 (E_RNA)
where:
Base-Base interactions energy: -205.126
where: short stacking energy: -81.997
Base-Backbone interact. energy: -0.724
local terms energy: -108.804447
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -280.269479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.269479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.269479 (E_RNA)
where:
Base-Base interactions energy: -183.937
where: short stacking energy: -87.018
Base-Backbone interact. energy: -0.168
local terms energy: -96.164766
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -14.809
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -262.618877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.618877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.618877 (E_RNA)
where:
Base-Base interactions energy: -166.428
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.417
local terms energy: -95.773970
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -274.062349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.062349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.062349 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -87.501
Base-Backbone interact. energy: 2.608
local terms energy: -92.535867
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -270.411410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.411410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.411410 (E_RNA)
where:
Base-Base interactions energy: -166.494
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.220
local terms energy: -103.697159
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -247.717183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.717183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.717183 (E_RNA)
where:
Base-Base interactions energy: -157.886
where: short stacking energy: -73.571
Base-Backbone interact. energy: -0.138
local terms energy: -89.693099
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -209.979020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.979020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.979020 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.180
local terms energy: -79.299590
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -244.844301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.844301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.844301 (E_RNA)
where:
Base-Base interactions energy: -148.425
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.001
local terms energy: -96.417483
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -21.886
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: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -193.625613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.625613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.625613 (E_RNA)
where:
Base-Base interactions energy: -121.157
where: short stacking energy: -53.468
Base-Backbone interact. energy: 0.015
local terms energy: -72.484057
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -341.064794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.064794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.064794 (E_RNA)
where:
Base-Base interactions energy: -218.059
where: short stacking energy: -97.379
Base-Backbone interact. energy: -0.138
local terms energy: -122.868077
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -25.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -328.187093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.187093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.187093 (E_RNA)
where:
Base-Base interactions energy: -211.194
where: short stacking energy: -100.240
Base-Backbone interact. energy: 0.643
local terms energy: -117.636161
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -288.661490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.661490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.661490 (E_RNA)
where:
Base-Base interactions energy: -183.261
where: short stacking energy: -91.603
Base-Backbone interact. energy: -1.965
local terms energy: -103.436063
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -16.704
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: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -289.576573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.576573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.576573 (E_RNA)
where:
Base-Base interactions energy: -189.142
where: short stacking energy: -91.642
Base-Backbone interact. energy: -0.001
local terms energy: -100.433632
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -270.530881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.530881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.530881 (E_RNA)
where:
Base-Base interactions energy: -174.923
where: short stacking energy: -84.905
Base-Backbone interact. energy: -0.789
local terms energy: -94.818828
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -19.885
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -266.511515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.511515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.511515 (E_RNA)
where:
Base-Base interactions energy: -172.327
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.564
local terms energy: -93.619966
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -256.843623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.843623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.843623 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -79.236
Base-Backbone interact. energy: 1.644
local terms energy: -86.477496
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -256.083618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083618 (E_RNA)
where:
Base-Base interactions energy: -166.603
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.837
local terms energy: -88.643824
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -19.838
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: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -191.895948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.895948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.895948 (E_RNA)
where:
Base-Base interactions energy: -109.963
where: short stacking energy: -50.034
Base-Backbone interact. energy: -1.605
local terms energy: -80.327925
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -194.209052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.209052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.209052 (E_RNA)
where:
Base-Base interactions energy: -119.090
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.878
local terms energy: -74.240594
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -13.615
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: 88
Temperature: 0.900000
Total energy: -340.750594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.750594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.750594 (E_RNA)
where:
Base-Base interactions energy: -224.734
where: short stacking energy: -102.024
Base-Backbone interact. energy: -0.200
local terms energy: -115.817294
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -30.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -329.959554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.959554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.959554 (E_RNA)
where:
Base-Base interactions energy: -226.247
where: short stacking energy: -92.382
Base-Backbone interact. energy: -0.359
local terms energy: -103.353055
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -27.067
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: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -306.929947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.929947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.929947 (E_RNA)
where:
Base-Base interactions energy: -196.705
where: short stacking energy: -105.493
Base-Backbone interact. energy: -1.030
local terms energy: -109.195771
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -283.302509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.302509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.302509 (E_RNA)
where:
Base-Base interactions energy: -188.769
where: short stacking energy: -85.775
Base-Backbone interact. energy: -0.206
local terms energy: -94.328195
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.455
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -274.402113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.402113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.402113 (E_RNA)
where:
Base-Base interactions energy: -177.847
where: short stacking energy: -90.912
Base-Backbone interact. energy: -0.105
local terms energy: -96.450074
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -19.502
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -255.004860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.004860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.004860 (E_RNA)
where:
Base-Base interactions energy: -150.613
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.237
local terms energy: -104.155068
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -18.981
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -261.121790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.121790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.121790 (E_RNA)
where:
Base-Base interactions energy: -168.377
where: short stacking energy: -79.481
Base-Backbone interact. energy: 0.319
local terms energy: -93.063787
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -14.772
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -245.604083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.604083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.604083 (E_RNA)
where:
Base-Base interactions energy: -168.880
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.461
local terms energy: -76.263172
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -185.705374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.705374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.705374 (E_RNA)
where:
Base-Base interactions energy: -93.444
where: short stacking energy: -41.196
Base-Backbone interact. energy: -0.366
local terms energy: -91.895126
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -129.859731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.859731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.859731 (E_RNA)
where:
Base-Base interactions energy: -63.034
where: short stacking energy: -36.090
Base-Backbone interact. energy: -0.309
local terms energy: -66.516565
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -334.161402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.161402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.161402 (E_RNA)
where:
Base-Base interactions energy: -231.917
where: short stacking energy: -95.700
Base-Backbone interact. energy: -0.369
local terms energy: -101.875723
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -323.195846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.195846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.195846 (E_RNA)
where:
Base-Base interactions energy: -216.989
where: short stacking energy: -103.202
Base-Backbone interact. energy: -0.232
local terms energy: -105.975207
where:
bonds (distance) C4'-P energy: -24.757
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -310.030440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.030440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.030440 (E_RNA)
where:
Base-Base interactions energy: -213.587
where: short stacking energy: -91.637
Base-Backbone interact. energy: 0.959
local terms energy: -97.402512
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -20.361
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: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -274.820799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.820799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.820799 (E_RNA)
where:
Base-Base interactions energy: -175.769
where: short stacking energy: -91.223
Base-Backbone interact. energy: 0.678
local terms energy: -99.730197
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -26.820
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: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -267.423950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.423950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.423950 (E_RNA)
where:
Base-Base interactions energy: -167.975
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.146
local terms energy: -99.303081
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -14.260
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -257.195835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.195835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.195835 (E_RNA)
where:
Base-Base interactions energy: -174.526
where: short stacking energy: -82.780
Base-Backbone interact. energy: -0.109
local terms energy: -82.560338
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -16.809
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -238.252191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.252191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.252191 (E_RNA)
where:
Base-Base interactions energy: -147.277
where: short stacking energy: -69.510
Base-Backbone interact. energy: -2.018
local terms energy: -88.957287
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -251.098890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.098890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.098890 (E_RNA)
where:
Base-Base interactions energy: -157.339
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.014
local terms energy: -93.745714
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -131.274413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.274413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.274413 (E_RNA)
where:
Base-Base interactions energy: -56.493
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.281
local terms energy: -74.500992
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -110.231852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.231852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.231852 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -29.697
Base-Backbone interact. energy: 0.742
local terms energy: -65.707358
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -1.431
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: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -342.844044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.844044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.844044 (E_RNA)
where:
Base-Base interactions energy: -239.853
where: short stacking energy: -97.881
Base-Backbone interact. energy: 0.434
local terms energy: -103.425161
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -310.314389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.314389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.314389 (E_RNA)
where:
Base-Base interactions energy: -210.834
where: short stacking energy: -95.745
Base-Backbone interact. energy: -0.296
local terms energy: -99.184737
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -300.927519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.927519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.927519 (E_RNA)
where:
Base-Base interactions energy: -206.791
where: short stacking energy: -86.218
Base-Backbone interact. energy: -0.345
local terms energy: -93.791361
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -23.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -287.338866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.338866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.338866 (E_RNA)
where:
Base-Base interactions energy: -180.968
where: short stacking energy: -91.840
Base-Backbone interact. energy: -0.001
local terms energy: -106.370083
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -26.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -276.150823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.150823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.150823 (E_RNA)
where:
Base-Base interactions energy: -183.566
where: short stacking energy: -101.507
Base-Backbone interact. energy: -0.204
local terms energy: -92.380646
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -262.353225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.353225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.353225 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.279
local terms energy: -101.284827
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -259.447800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.447800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.447800 (E_RNA)
where:
Base-Base interactions energy: -163.627
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.233
local terms energy: -95.587629
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -235.413854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.413854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.413854 (E_RNA)
where:
Base-Base interactions energy: -144.659
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.041
local terms energy: -90.713511
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -14.645
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: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -110.913111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.913111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.913111 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.246
local terms energy: -79.068160
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -4.510
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: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -113.325216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.325216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.325216 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -35.294
Base-Backbone interact. energy: 2.105
local terms energy: -79.783231
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -333.118949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.118949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.118949 (E_RNA)
where:
Base-Base interactions energy: -230.303
where: short stacking energy: -98.888
Base-Backbone interact. energy: -0.981
local terms energy: -101.835187
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -25.146
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -326.104991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.104991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.104991 (E_RNA)
where:
Base-Base interactions energy: -224.443
where: short stacking energy: -93.980
Base-Backbone interact. energy: -0.563
local terms energy: -101.099101
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -317.815677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.815677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.815677 (E_RNA)
where:
Base-Base interactions energy: -209.898
where: short stacking energy: -99.136
Base-Backbone interact. energy: -0.984
local terms energy: -106.934196
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -23.596
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: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -287.311699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.311699 (E_RNA)
where:
Base-Base interactions energy: -188.558
where: short stacking energy: -89.402
Base-Backbone interact. energy: -0.010
local terms energy: -98.744174
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -21.750
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -278.610384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.610384 (E_RNA)
where:
Base-Base interactions energy: -183.661
where: short stacking energy: -87.432
Base-Backbone interact. energy: 0.214
local terms energy: -95.163123
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -19.049
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: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -275.280607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.280607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.280607 (E_RNA)
where:
Base-Base interactions energy: -176.060
where: short stacking energy: -86.298
Base-Backbone interact. energy: -0.581
local terms energy: -98.640250
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -24.331
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: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -248.681498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.681498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.681498 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.124
local terms energy: -96.792587
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -16.460
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -211.051867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051867 (E_RNA)
where:
Base-Base interactions energy: -133.519
where: short stacking energy: -69.311
Base-Backbone interact. energy: 0.268
local terms energy: -77.800715
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -118.454136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.454136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.454136 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -38.922
Base-Backbone interact. energy: -0.051
local terms energy: -72.898120
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -118.733761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.733761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.733761 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -37.146
Base-Backbone interact. energy: 0.503
local terms energy: -77.286207
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -6.301
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: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -321.095088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.095088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.095088 (E_RNA)
where:
Base-Base interactions energy: -217.060
where: short stacking energy: -82.552
Base-Backbone interact. energy: -0.555
local terms energy: -103.480741
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -332.386556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.386556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.386556 (E_RNA)
where:
Base-Base interactions energy: -222.606
where: short stacking energy: -84.595
Base-Backbone interact. energy: 0.001
local terms energy: -109.780987
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -314.993766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.993766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.993766 (E_RNA)
where:
Base-Base interactions energy: -203.322
where: short stacking energy: -91.239
Base-Backbone interact. energy: -0.077
local terms energy: -111.594956
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -28.840
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -291.816514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.816514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.816514 (E_RNA)
where:
Base-Base interactions energy: -183.989
where: short stacking energy: -93.439
Base-Backbone interact. energy: -0.206
local terms energy: -107.621151
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -26.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -284.259316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.259316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.259316 (E_RNA)
where:
Base-Base interactions energy: -176.414
where: short stacking energy: -90.404
Base-Backbone interact. energy: -0.076
local terms energy: -107.770134
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -14.660
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -256.668218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.668218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.668218 (E_RNA)
where:
Base-Base interactions energy: -164.435
where: short stacking energy: -75.013
Base-Backbone interact. energy: 3.265
local terms energy: -95.497630
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -12.491
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -253.511815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.511815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.511815 (E_RNA)
where:
Base-Base interactions energy: -166.796
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.322
local terms energy: -86.394149
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -220.506661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.506661 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -57.382
Base-Backbone interact. energy: -1.660
local terms energy: -84.451029
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -14.550
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -116.561363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.561363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.561363 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -37.320
Base-Backbone interact. energy: 1.269
local terms energy: -77.198791
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -10.157
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: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -103.938590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.938590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.938590 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.360
local terms energy: -68.312821
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -0.286
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -333.633686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.633686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.633686 (E_RNA)
where:
Base-Base interactions energy: -231.160
where: short stacking energy: -104.352
Base-Backbone interact. energy: -0.092
local terms energy: -102.382314
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -328.014790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.014790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.014790 (E_RNA)
where:
Base-Base interactions energy: -231.214
where: short stacking energy: -86.861
Base-Backbone interact. energy: 0.590
local terms energy: -97.390641
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -307.192444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.192444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.192444 (E_RNA)
where:
Base-Base interactions energy: -207.478
where: short stacking energy: -92.735
Base-Backbone interact. energy: -0.082
local terms energy: -99.632453
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -14.661
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: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -284.603595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.603595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.603595 (E_RNA)
where:
Base-Base interactions energy: -183.492
where: short stacking energy: -78.409
Base-Backbone interact. energy: 0.132
local terms energy: -101.243436
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -294.574476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.574476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.574476 (E_RNA)
where:
Base-Base interactions energy: -199.833
where: short stacking energy: -90.804
Base-Backbone interact. energy: -0.189
local terms energy: -94.552562
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -276.416598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.416598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.416598 (E_RNA)
where:
Base-Base interactions energy: -180.176
where: short stacking energy: -78.835
Base-Backbone interact. energy: -0.027
local terms energy: -96.213532
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -264.350415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.350415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.350415 (E_RNA)
where:
Base-Base interactions energy: -167.020
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.050
local terms energy: -97.280304
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -242.724138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.724138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.724138 (E_RNA)
where:
Base-Base interactions energy: -159.564
where: short stacking energy: -70.989
Base-Backbone interact. energy: 0.319
local terms energy: -83.479797
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -109.437990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.437990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.437990 (E_RNA)
where:
Base-Base interactions energy: -41.949
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.397
local terms energy: -67.091851
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -109.366661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.366661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.366661 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.558
local terms energy: -62.433332
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -341.256725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.256725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.256725 (E_RNA)
where:
Base-Base interactions energy: -234.248
where: short stacking energy: -94.314
Base-Backbone interact. energy: -1.278
local terms energy: -105.731057
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -25.659
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -337.709053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.709053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.709053 (E_RNA)
where:
Base-Base interactions energy: -230.034
where: short stacking energy: -88.784
Base-Backbone interact. energy: -0.467
local terms energy: -107.208989
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -293.817160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.817160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.817160 (E_RNA)
where:
Base-Base interactions energy: -192.454
where: short stacking energy: -84.007
Base-Backbone interact. energy: -0.216
local terms energy: -101.147226
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -17.351
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: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -323.169170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.169170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.169170 (E_RNA)
where:
Base-Base interactions energy: -212.102
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.789
local terms energy: -110.277320
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -273.637003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.637003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.637003 (E_RNA)
where:
Base-Base interactions energy: -169.723
where: short stacking energy: -75.228
Base-Backbone interact. energy: 0.320
local terms energy: -104.234483
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -265.967396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.967396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.967396 (E_RNA)
where:
Base-Base interactions energy: -171.735
where: short stacking energy: -76.186
Base-Backbone interact. energy: -0.250
local terms energy: -93.982443
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -16.038
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: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -220.178102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.178102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.178102 (E_RNA)
where:
Base-Base interactions energy: -136.131
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.051
local terms energy: -83.995604
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -257.287042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.287042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.287042 (E_RNA)
where:
Base-Base interactions energy: -173.506
where: short stacking energy: -81.071
Base-Backbone interact. energy: 0.645
local terms energy: -84.426009
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -99.080496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.080496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.080496 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -39.142
Base-Backbone interact. energy: -1.042
local terms energy: -58.995960
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: 5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -115.396199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.396199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.396199 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.152
local terms energy: -78.442907
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -352.927546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.927546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.927546 (E_RNA)
where:
Base-Base interactions energy: -241.099
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.928
local terms energy: -110.900214
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -330.590198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.590198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.590198 (E_RNA)
where:
Base-Base interactions energy: -221.712
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.477
local terms energy: -108.400965
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -15.674
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -299.172248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.172248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.172248 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -95.356
Base-Backbone interact. energy: -0.024
local terms energy: -118.177552
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -29.285
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -300.824152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.824152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.824152 (E_RNA)
where:
Base-Base interactions energy: -195.714
where: short stacking energy: -94.938
Base-Backbone interact. energy: 0.521
local terms energy: -105.630340
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -23.101
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: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -281.737069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.737069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.737069 (E_RNA)
where:
Base-Base interactions energy: -179.186
where: short stacking energy: -91.441
Base-Backbone interact. energy: -0.715
local terms energy: -101.835317
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -15.177
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: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -220.578630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.578630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.578630 (E_RNA)
where:
Base-Base interactions energy: -132.590
where: short stacking energy: -71.733
Base-Backbone interact. energy: 0.531
local terms energy: -88.519740
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -257.672684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.672684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.672684 (E_RNA)
where:
Base-Base interactions energy: -169.120
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.117
local terms energy: -88.435510
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -247.769651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.769651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.769651 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -74.681
Base-Backbone interact. energy: 0.081
local terms energy: -92.850145
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -17.910
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: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -125.499269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.499269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.499269 (E_RNA)
where:
Base-Base interactions energy: -48.978
where: short stacking energy: -47.414
Base-Backbone interact. energy: -0.142
local terms energy: -76.378747
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -102.589397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.589397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.589397 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -29.280
Base-Backbone interact. energy: 0.010
local terms energy: -70.503234
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -333.367504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.367504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.367504 (E_RNA)
where:
Base-Base interactions energy: -227.405
where: short stacking energy: -90.469
Base-Backbone interact. energy: -0.907
local terms energy: -105.056197
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -338.211984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.211984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.211984 (E_RNA)
where:
Base-Base interactions energy: -222.220
where: short stacking energy: -93.185
Base-Backbone interact. energy: -1.734
local terms energy: -114.257853
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -12.430
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: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -296.855250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.855250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.855250 (E_RNA)
where:
Base-Base interactions energy: -193.040
where: short stacking energy: -95.174
Base-Backbone interact. energy: -0.178
local terms energy: -103.637068
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -27.400
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -291.725991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.725991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.725991 (E_RNA)
where:
Base-Base interactions energy: -194.082
where: short stacking energy: -89.880
Base-Backbone interact. energy: -0.196
local terms energy: -97.448014
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -269.047534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.047534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.047534 (E_RNA)
where:
Base-Base interactions energy: -172.313
where: short stacking energy: -84.050
Base-Backbone interact. energy: -1.282
local terms energy: -95.452478
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -14.388
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: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -226.225154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.225154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.225154 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.115
local terms energy: -88.205868
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -15.158
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: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -253.871751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.871751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.871751 (E_RNA)
where:
Base-Base interactions energy: -156.564
where: short stacking energy: -79.054
Base-Backbone interact. energy: -0.071
local terms energy: -97.236303
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -256.104445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.104445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.104445 (E_RNA)
where:
Base-Base interactions energy: -160.920
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.278
local terms energy: -94.906136
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -123.625453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.625453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.625453 (E_RNA)
where:
Base-Base interactions energy: -45.567
where: short stacking energy: -45.304
Base-Backbone interact. energy: 1.027
local terms energy: -79.084968
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -111.950299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.950299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.950299 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.194
local terms energy: -66.390756
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -341.955559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.955559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.955559 (E_RNA)
where:
Base-Base interactions energy: -227.707
where: short stacking energy: -100.900
Base-Backbone interact. energy: 0.331
local terms energy: -114.579903
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -19.121
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: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -342.815539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.815539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.815539 (E_RNA)
where:
Base-Base interactions energy: -226.669
where: short stacking energy: -102.339
Base-Backbone interact. energy: 1.471
local terms energy: -117.617306
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -301.770569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.770569 (E_RNA)
where:
Base-Base interactions energy: -199.206
where: short stacking energy: -95.263
Base-Backbone interact. energy: -0.426
local terms energy: -102.138577
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -306.174703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.174703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.174703 (E_RNA)
where:
Base-Base interactions energy: -204.363
where: short stacking energy: -86.576
Base-Backbone interact. energy: -0.402
local terms energy: -101.410376
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -22.717
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: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -291.359924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.359924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.359924 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -93.270
Base-Backbone interact. energy: -0.070
local terms energy: -110.240718
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -253.078084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.078084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.078084 (E_RNA)
where:
Base-Base interactions energy: -158.208
where: short stacking energy: -71.904
Base-Backbone interact. energy: -0.319
local terms energy: -94.551014
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -19.666
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -248.394103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.394103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.394103 (E_RNA)
where:
Base-Base interactions energy: -162.188
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.493
local terms energy: -85.712733
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -13.129
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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -261.809088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.809088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.809088 (E_RNA)
where:
Base-Base interactions energy: -170.444
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.805
local terms energy: -90.559703
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -114.315619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.315619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.315619 (E_RNA)
where:
Base-Base interactions energy: -49.740
where: short stacking energy: -33.179
Base-Backbone interact. energy: -0.338
local terms energy: -64.237537
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 1.596
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -105.548961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548961 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -31.407
Base-Backbone interact. energy: -0.977
local terms energy: -69.488528
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -328.995019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.995019 (E_RNA)
where:
Base-Base interactions energy: -228.261
where: short stacking energy: -89.341
Base-Backbone interact. energy: 0.629
local terms energy: -101.362957
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -22.888
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -327.641609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.641609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.641609 (E_RNA)
where:
Base-Base interactions energy: -215.743
where: short stacking energy: -98.924
Base-Backbone interact. energy: -0.326
local terms energy: -111.571941
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -290.744284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.744284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.744284 (E_RNA)
where:
Base-Base interactions energy: -185.521
where: short stacking energy: -94.883
Base-Backbone interact. energy: -0.077
local terms energy: -105.146068
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -24.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -303.684554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.684554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.684554 (E_RNA)
where:
Base-Base interactions energy: -200.459
where: short stacking energy: -92.752
Base-Backbone interact. energy: -0.500
local terms energy: -102.725672
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -14.527
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: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -268.327294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.327294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.327294 (E_RNA)
where:
Base-Base interactions energy: -168.402
where: short stacking energy: -82.665
Base-Backbone interact. energy: -0.105
local terms energy: -99.820256
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -16.263
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -265.783186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.783186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.783186 (E_RNA)
where:
Base-Base interactions energy: -172.253
where: short stacking energy: -83.688
Base-Backbone interact. energy: -0.011
local terms energy: -93.519977
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -19.254
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -252.483741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.483741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.483741 (E_RNA)
where:
Base-Base interactions energy: -157.103
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.676
local terms energy: -94.704904
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -247.434928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.434928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.434928 (E_RNA)
where:
Base-Base interactions energy: -164.598
where: short stacking energy: -76.490
Base-Backbone interact. energy: -0.382
local terms energy: -82.454964
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -113.677854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.677854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.677854 (E_RNA)
where:
Base-Base interactions energy: -38.486
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.229
local terms energy: -74.962860
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -123.458911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.458911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.458911 (E_RNA)
where:
Base-Base interactions energy: -57.648
where: short stacking energy: -34.565
Base-Backbone interact. energy: -0.434
local terms energy: -65.377713
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -327.251973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.251973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.251973 (E_RNA)
where:
Base-Base interactions energy: -222.897
where: short stacking energy: -103.996
Base-Backbone interact. energy: 1.483
local terms energy: -105.837574
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -298.282453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.282453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.282453 (E_RNA)
where:
Base-Base interactions energy: -193.251
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.297
local terms energy: -104.733931
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -315.623927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.623927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.623927 (E_RNA)
where:
Base-Base interactions energy: -219.078
where: short stacking energy: -89.583
Base-Backbone interact. energy: 0.341
local terms energy: -96.886800
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -300.312041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.312041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.312041 (E_RNA)
where:
Base-Base interactions energy: -193.664
where: short stacking energy: -98.832
Base-Backbone interact. energy: -0.019
local terms energy: -106.629008
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -273.890444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.890444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.890444 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -86.281
Base-Backbone interact. energy: -0.217
local terms energy: -100.150341
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -300.715793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.715793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.715793 (E_RNA)
where:
Base-Base interactions energy: -190.040
where: short stacking energy: -91.358
Base-Backbone interact. energy: -0.116
local terms energy: -110.560321
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -253.438041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.438041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.438041 (E_RNA)
where:
Base-Base interactions energy: -174.404
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.192
local terms energy: -78.842452
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -124.414356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.414356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.414356 (E_RNA)
where:
Base-Base interactions energy: -46.697
where: short stacking energy: -28.741
Base-Backbone interact. energy: -0.395
local terms energy: -77.322393
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -247.731032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.731032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.731032 (E_RNA)
where:
Base-Base interactions energy: -169.286
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.152
local terms energy: -78.292602
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -16.663
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: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -121.336868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.336868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.336868 (E_RNA)
where:
Base-Base interactions energy: -54.599
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.026
local terms energy: -66.712021
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -5.445
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: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -337.174524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.174524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.174524 (E_RNA)
where:
Base-Base interactions energy: -225.249
where: short stacking energy: -105.620
Base-Backbone interact. energy: -0.315
local terms energy: -111.609618
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -308.542297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.542297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.542297 (E_RNA)
where:
Base-Base interactions energy: -193.286
where: short stacking energy: -96.501
Base-Backbone interact. energy: -0.014
local terms energy: -115.242277
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -13.075
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: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -320.035079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.035079 (E_RNA)
where:
Base-Base interactions energy: -221.172
where: short stacking energy: -94.667
Base-Backbone interact. energy: 3.880
local terms energy: -102.743431
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -14.344
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: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -289.980641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.980641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.980641 (E_RNA)
where:
Base-Base interactions energy: -184.246
where: short stacking energy: -87.915
Base-Backbone interact. energy: -0.132
local terms energy: -105.602864
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -266.461348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.461348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.461348 (E_RNA)
where:
Base-Base interactions energy: -172.778
where: short stacking energy: -85.207
Base-Backbone interact. energy: -0.034
local terms energy: -93.649597
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -19.940
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -266.857318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.857318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.857318 (E_RNA)
where:
Base-Base interactions energy: -178.953
where: short stacking energy: -79.900
Base-Backbone interact. energy: -0.538
local terms energy: -87.366133
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -251.690538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.690538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.690538 (E_RNA)
where:
Base-Base interactions energy: -156.937
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.333
local terms energy: -94.420661
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -12.671
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: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -122.116743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.116743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.116743 (E_RNA)
where:
Base-Base interactions energy: -44.650
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.197
local terms energy: -77.269939
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -6.243
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: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -209.788485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.788485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.788485 (E_RNA)
where:
Base-Base interactions energy: -123.434
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.259
local terms energy: -86.095474
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -101.723155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.723155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.723155 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -20.567
Base-Backbone interact. energy: 3.578
local terms energy: -72.044232
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -339.658806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.658806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.658806 (E_RNA)
where:
Base-Base interactions energy: -237.316
where: short stacking energy: -103.030
Base-Backbone interact. energy: -0.270
local terms energy: -102.072056
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -320.479702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.479702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.479702 (E_RNA)
where:
Base-Base interactions energy: -213.192
where: short stacking energy: -95.039
Base-Backbone interact. energy: -0.253
local terms energy: -107.035121
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -306.358422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.358422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.358422 (E_RNA)
where:
Base-Base interactions energy: -193.946
where: short stacking energy: -90.300
Base-Backbone interact. energy: -0.299
local terms energy: -112.113368
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -303.017837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.017837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.017837 (E_RNA)
where:
Base-Base interactions energy: -195.580
where: short stacking energy: -96.233
Base-Backbone interact. energy: 0.472
local terms energy: -107.910073
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -19.042
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: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -281.204335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.204335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.204335 (E_RNA)
where:
Base-Base interactions energy: -183.900
where: short stacking energy: -85.274
Base-Backbone interact. energy: -0.047
local terms energy: -97.257838
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -282.834520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.834520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.834520 (E_RNA)
where:
Base-Base interactions energy: -172.560
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.249
local terms energy: -110.025107
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -25.697
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: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -272.793808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.793808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.793808 (E_RNA)
where:
Base-Base interactions energy: -182.265
where: short stacking energy: -78.391
Base-Backbone interact. energy: -0.294
local terms energy: -90.234777
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -226.449279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.449279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.449279 (E_RNA)
where:
Base-Base interactions energy: -139.408
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.270
local terms energy: -86.771780
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -132.281528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.281528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.281528 (E_RNA)
where:
Base-Base interactions energy: -62.842
where: short stacking energy: -37.910
Base-Backbone interact. energy: 1.500
local terms energy: -70.939467
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -105.733329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.733329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.733329 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -37.103
Base-Backbone interact. energy: 5.483
local terms energy: -71.873226
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -4.101
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -350.129703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.129703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.129703 (E_RNA)
where:
Base-Base interactions energy: -240.222
where: short stacking energy: -90.271
Base-Backbone interact. energy: -1.098
local terms energy: -108.809392
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -327.872666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.872666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.872666 (E_RNA)
where:
Base-Base interactions energy: -224.065
where: short stacking energy: -103.255
Base-Backbone interact. energy: -0.640
local terms energy: -103.167487
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -309.977713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.977713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.977713 (E_RNA)
where:
Base-Base interactions energy: -207.047
where: short stacking energy: -92.656
Base-Backbone interact. energy: 0.784
local terms energy: -103.715653
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -279.449123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.449123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.449123 (E_RNA)
where:
Base-Base interactions energy: -170.413
where: short stacking energy: -76.462
Base-Backbone interact. energy: -0.108
local terms energy: -108.927829
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -282.702222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.702222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.702222 (E_RNA)
where:
Base-Base interactions energy: -178.373
where: short stacking energy: -77.605
Base-Backbone interact. energy: -0.355
local terms energy: -103.973878
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -21.410
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: 102
Temperature: 1.150000
Total energy: -286.559544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.559544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.559544 (E_RNA)
where:
Base-Base interactions energy: -191.235
where: short stacking energy: -90.608
Base-Backbone interact. energy: -0.606
local terms energy: -94.719186
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -9.339
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: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -245.220298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.220298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.220298 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.316
local terms energy: -86.582400
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -188.964365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964365 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -56.390
Base-Backbone interact. energy: -0.360
local terms energy: -63.520107
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -119.038775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.038775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.038775 (E_RNA)
where:
Base-Base interactions energy: -40.809
where: short stacking energy: -30.929
Base-Backbone interact. energy: -0.080
local terms energy: -78.149263
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -112.955228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.955228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.955228 (E_RNA)
where:
Base-Base interactions energy: -54.443
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.169
local terms energy: -58.343062
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -346.601374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.601374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.601374 (E_RNA)
where:
Base-Base interactions energy: -238.192
where: short stacking energy: -104.500
Base-Backbone interact. energy: -0.486
local terms energy: -107.923387
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -25.239
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: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -332.331354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.331354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.331354 (E_RNA)
where:
Base-Base interactions energy: -234.975
where: short stacking energy: -90.644
Base-Backbone interact. energy: 5.703
local terms energy: -103.059359
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -300.310191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.310191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.310191 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -91.650
Base-Backbone interact. energy: -0.944
local terms energy: -97.150293
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -276.298725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.298725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.298725 (E_RNA)
where:
Base-Base interactions energy: -173.472
where: short stacking energy: -96.914
Base-Backbone interact. energy: -0.491
local terms energy: -102.335505
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -12.439
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -269.299871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.299871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.299871 (E_RNA)
where:
Base-Base interactions energy: -164.496
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.154
local terms energy: -104.649455
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -276.796996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.796996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.796996 (E_RNA)
where:
Base-Base interactions energy: -193.055
where: short stacking energy: -78.884
Base-Backbone interact. energy: -0.207
local terms energy: -83.535254
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -263.712171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.712171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.712171 (E_RNA)
where:
Base-Base interactions energy: -172.692
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.866
local terms energy: -90.154158
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -209.597982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.597982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.597982 (E_RNA)
where:
Base-Base interactions energy: -129.208
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.729
local terms energy: -79.660325
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -125.097718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.097718 (E_RNA)
where:
Base-Base interactions energy: -59.436
where: short stacking energy: -43.913
Base-Backbone interact. energy: -0.028
local terms energy: -65.633122
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 0.692
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -113.298047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.298047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.298047 (E_RNA)
where:
Base-Base interactions energy: -54.258
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.155
local terms energy: -58.885135
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -5.322
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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -330.675827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.675827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.675827 (E_RNA)
where:
Base-Base interactions energy: -215.754
where: short stacking energy: -94.985
Base-Backbone interact. energy: -0.560
local terms energy: -114.361784
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -329.336763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.336763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.336763 (E_RNA)
where:
Base-Base interactions energy: -223.575
where: short stacking energy: -83.343
Base-Backbone interact. energy: -0.767
local terms energy: -104.994799
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -293.454884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.454884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.454884 (E_RNA)
where:
Base-Base interactions energy: -192.716
where: short stacking energy: -98.871
Base-Backbone interact. energy: -0.408
local terms energy: -100.330626
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -29.536
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: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -269.052450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.052450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.052450 (E_RNA)
where:
Base-Base interactions energy: -167.775
where: short stacking energy: -87.110
Base-Backbone interact. energy: -0.175
local terms energy: -101.101858
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -18.538
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: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -287.640752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.640752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.640752 (E_RNA)
where:
Base-Base interactions energy: -185.032
where: short stacking energy: -85.226
Base-Backbone interact. energy: -1.132
local terms energy: -101.476530
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -250.195174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.195174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.195174 (E_RNA)
where:
Base-Base interactions energy: -156.245
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.067
local terms energy: -93.883338
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -273.294653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.294653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.294653 (E_RNA)
where:
Base-Base interactions energy: -181.560
where: short stacking energy: -90.485
Base-Backbone interact. energy: -0.185
local terms energy: -91.549344
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -224.904014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.904014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.904014 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.865
local terms energy: -97.368837
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -120.548641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.548641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.548641 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -39.907
Base-Backbone interact. energy: 2.095
local terms energy: -75.988126
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -4.474
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: 104
Temperature: 1.350000
Total energy: -104.421300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.421300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.421300 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -29.577
Base-Backbone interact. energy: 2.673
local terms energy: -66.710040
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -332.903062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.903062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.903062 (E_RNA)
where:
Base-Base interactions energy: -226.104
where: short stacking energy: -105.428
Base-Backbone interact. energy: -0.404
local terms energy: -106.395243
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -19.932
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: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -326.651535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.651535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.651535 (E_RNA)
where:
Base-Base interactions energy: -219.997
where: short stacking energy: -94.155
Base-Backbone interact. energy: -0.614
local terms energy: -106.040115
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -294.325817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.325817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.325817 (E_RNA)
where:
Base-Base interactions energy: -192.547
where: short stacking energy: -89.857
Base-Backbone interact. energy: -0.220
local terms energy: -101.557927
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -19.356
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: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -304.996477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.996477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.996477 (E_RNA)
where:
Base-Base interactions energy: -200.149
where: short stacking energy: -96.564
Base-Backbone interact. energy: -0.433
local terms energy: -104.414636
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -25.013
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: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -255.876590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.876590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.876590 (E_RNA)
where:
Base-Base interactions energy: -161.510
where: short stacking energy: -72.631
Base-Backbone interact. energy: -0.500
local terms energy: -93.867031
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -282.076499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.076499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.076499 (E_RNA)
where:
Base-Base interactions energy: -181.209
where: short stacking energy: -76.892
Base-Backbone interact. energy: -0.921
local terms energy: -99.945842
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -246.409725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.409725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.409725 (E_RNA)
where:
Base-Base interactions energy: -157.846
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.629
local terms energy: -87.935153
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -243.320571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.320571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.320571 (E_RNA)
where:
Base-Base interactions energy: -157.962
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.325
local terms energy: -85.033326
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -14.076
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: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -117.180919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.180919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.180919 (E_RNA)
where:
Base-Base interactions energy: -51.931
where: short stacking energy: -36.570
Base-Backbone interact. energy: -1.403
local terms energy: -63.847335
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -118.741479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.741479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.741479 (E_RNA)
where:
Base-Base interactions energy: -48.418
where: short stacking energy: -43.033
Base-Backbone interact. energy: -0.043
local terms energy: -70.280482
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -333.745898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.745898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.745898 (E_RNA)
where:
Base-Base interactions energy: -220.849
where: short stacking energy: -92.036
Base-Backbone interact. energy: -0.048
local terms energy: -112.849653
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -336.592156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.592156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.592156 (E_RNA)
where:
Base-Base interactions energy: -219.332
where: short stacking energy: -98.685
Base-Backbone interact. energy: -0.089
local terms energy: -117.171475
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -269.902285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.902285 (E_RNA)
where:
Base-Base interactions energy: -167.147
where: short stacking energy: -78.643
Base-Backbone interact. energy: 0.729
local terms energy: -103.483864
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -281.596783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.596783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.596783 (E_RNA)
where:
Base-Base interactions energy: -180.365
where: short stacking energy: -88.976
Base-Backbone interact. energy: -0.020
local terms energy: -101.211900
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -24.267
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: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -285.293137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.293137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.293137 (E_RNA)
where:
Base-Base interactions energy: -187.892
where: short stacking energy: -84.841
Base-Backbone interact. energy: -0.498
local terms energy: -96.902978
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -24.763
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -265.518514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.518514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.518514 (E_RNA)
where:
Base-Base interactions energy: -166.761
where: short stacking energy: -78.637
Base-Backbone interact. energy: -0.236
local terms energy: -98.521158
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -274.273077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.273077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.273077 (E_RNA)
where:
Base-Base interactions energy: -172.277
where: short stacking energy: -80.528
Base-Backbone interact. energy: -0.071
local terms energy: -101.925271
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -238.406725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.406725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.406725 (E_RNA)
where:
Base-Base interactions energy: -145.396
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.170
local terms energy: -92.840904
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -135.264576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.264576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.264576 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -42.110
Base-Backbone interact. energy: -0.478
local terms energy: -91.894421
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -116.916029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.916029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.916029 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -29.394
Base-Backbone interact. energy: 1.115
local terms energy: -85.910713
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -5.547
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: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -328.533847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.533847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.533847 (E_RNA)
where:
Base-Base interactions energy: -207.472
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.838
local terms energy: -120.224170
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -26.634
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: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -295.506847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.506847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.506847 (E_RNA)
where:
Base-Base interactions energy: -180.376
where: short stacking energy: -92.112
Base-Backbone interact. energy: -0.159
local terms energy: -114.972641
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -15.670
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: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -301.599602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.599602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.599602 (E_RNA)
where:
Base-Base interactions energy: -197.422
where: short stacking energy: -90.770
Base-Backbone interact. energy: 0.598
local terms energy: -104.776119
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -286.527321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.527321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.527321 (E_RNA)
where:
Base-Base interactions energy: -176.737
where: short stacking energy: -95.134
Base-Backbone interact. energy: -0.809
local terms energy: -108.980674
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -14.954
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: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -269.448709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.448709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.448709 (E_RNA)
where:
Base-Base interactions energy: -160.932
where: short stacking energy: -80.191
Base-Backbone interact. energy: -0.981
local terms energy: -107.535998
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -268.520258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.520258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.520258 (E_RNA)
where:
Base-Base interactions energy: -175.045
where: short stacking energy: -84.348
Base-Backbone interact. energy: 0.359
local terms energy: -93.834115
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -216.762272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.762272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762272 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -60.417
Base-Backbone interact. energy: -0.328
local terms energy: -79.920732
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -8.133
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: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -242.345914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.345914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.345914 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.354
local terms energy: -95.606319
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -13.725
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: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -120.918037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.918037 (E_RNA)
where:
Base-Base interactions energy: -45.585
where: short stacking energy: -45.585
Base-Backbone interact. energy: 3.289
local terms energy: -78.621741
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -10.439
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: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -112.156253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.156253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.156253 (E_RNA)
where:
Base-Base interactions energy: -40.422
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.444
local terms energy: -71.290408
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -328.974358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.974358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.974358 (E_RNA)
where:
Base-Base interactions energy: -216.406
where: short stacking energy: -97.925
Base-Backbone interact. energy: -0.151
local terms energy: -112.416953
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -20.565
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -304.050531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.050531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.050531 (E_RNA)
where:
Base-Base interactions energy: -203.792
where: short stacking energy: -76.512
Base-Backbone interact. energy: -0.092
local terms energy: -100.165919
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -312.769086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.769086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.769086 (E_RNA)
where:
Base-Base interactions energy: -201.420
where: short stacking energy: -97.721
Base-Backbone interact. energy: -0.449
local terms energy: -110.900085
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -27.875
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: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -282.140686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.140686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.140686 (E_RNA)
where:
Base-Base interactions energy: -178.700
where: short stacking energy: -86.883
Base-Backbone interact. energy: 0.542
local terms energy: -103.982801
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -16.811
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: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -271.861021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.861021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.861021 (E_RNA)
where:
Base-Base interactions energy: -174.163
where: short stacking energy: -85.126
Base-Backbone interact. energy: -0.125
local terms energy: -97.572792
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -14.260
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -264.292639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.292639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.292639 (E_RNA)
where:
Base-Base interactions energy: -169.421
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.201
local terms energy: -94.670705
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -256.486809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.486809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.486809 (E_RNA)
where:
Base-Base interactions energy: -161.637
where: short stacking energy: -82.978
Base-Backbone interact. energy: 0.889
local terms energy: -95.738854
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -204.258645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.258645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.258645 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.261
local terms energy: -82.519168
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -111.270782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.270782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.270782 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.140
local terms energy: -66.427754
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -109.906231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.906231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.906231 (E_RNA)
where:
Base-Base interactions energy: -34.483
where: short stacking energy: -24.423
Base-Backbone interact. energy: -1.089
local terms energy: -74.334684
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: 3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -326.989687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.989687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.989687 (E_RNA)
where:
Base-Base interactions energy: -215.219
where: short stacking energy: -101.227
Base-Backbone interact. energy: -0.519
local terms energy: -111.251597
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -320.434863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.434863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.434863 (E_RNA)
where:
Base-Base interactions energy: -212.186
where: short stacking energy: -93.425
Base-Backbone interact. energy: -0.112
local terms energy: -108.137421
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -19.450
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: 109
Temperature: 1.000000
Total energy: -302.591852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.591852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.591852 (E_RNA)
where:
Base-Base interactions energy: -190.213
where: short stacking energy: -96.374
Base-Backbone interact. energy: -0.121
local terms energy: -112.257690
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -14.877
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -285.397441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.397441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.397441 (E_RNA)
where:
Base-Base interactions energy: -186.996
where: short stacking energy: -76.611
Base-Backbone interact. energy: -0.330
local terms energy: -98.071762
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -17.049
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: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -284.761289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.761289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.761289 (E_RNA)
where:
Base-Base interactions energy: -185.311
where: short stacking energy: -89.333
Base-Backbone interact. energy: -0.243
local terms energy: -99.207482
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -256.994075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.994075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.994075 (E_RNA)
where:
Base-Base interactions energy: -158.774
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.107
local terms energy: -98.113311
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -17.019
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -242.504495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.504495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.504495 (E_RNA)
where:
Base-Base interactions energy: -150.907
where: short stacking energy: -63.839
Base-Backbone interact. energy: 0.349
local terms energy: -91.947041
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -214.091672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.091672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.091672 (E_RNA)
where:
Base-Base interactions energy: -129.698
where: short stacking energy: -64.385
Base-Backbone interact. energy: 0.652
local terms energy: -85.045778
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -123.017411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.017411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.017411 (E_RNA)
where:
Base-Base interactions energy: -51.304
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.211
local terms energy: -71.502365
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -108.106640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.106640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.106640 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.098
local terms energy: -61.105884
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -12.387
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: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -327.837472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.837472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.837472 (E_RNA)
where:
Base-Base interactions energy: -222.953
where: short stacking energy: -94.564
Base-Backbone interact. energy: -1.117
local terms energy: -103.767645
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -327.365027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.365027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.365027 (E_RNA)
where:
Base-Base interactions energy: -220.134
where: short stacking energy: -97.058
Base-Backbone interact. energy: -0.437
local terms energy: -106.794558
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -296.670391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.670391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.670391 (E_RNA)
where:
Base-Base interactions energy: -196.566
where: short stacking energy: -87.564
Base-Backbone interact. energy: -0.433
local terms energy: -99.671458
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -20.369
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: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -317.299674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.299674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.299674 (E_RNA)
where:
Base-Base interactions energy: -191.831
where: short stacking energy: -95.649
Base-Backbone interact. energy: -0.001
local terms energy: -125.467211
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -273.000886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.000886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.000886 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -76.269
Base-Backbone interact. energy: -0.034
local terms energy: -106.755870
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -261.783780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.783780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.783780 (E_RNA)
where:
Base-Base interactions energy: -171.864
where: short stacking energy: -81.088
Base-Backbone interact. energy: 2.675
local terms energy: -92.594604
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -16.152
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: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -259.978843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.978843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.978843 (E_RNA)
where:
Base-Base interactions energy: -165.465
where: short stacking energy: -83.701
Base-Backbone interact. energy: -0.074
local terms energy: -94.440368
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -22.554
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: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -218.629630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.629630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.629630 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -57.594
Base-Backbone interact. energy: 0.185
local terms energy: -82.479047
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -114.318021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.318021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.318021 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -43.046
Base-Backbone interact. energy: 2.993
local terms energy: -74.265472
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -8.994
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: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -112.517503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.517503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.517503 (E_RNA)
where:
Base-Base interactions energy: -39.489
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.274
local terms energy: -72.754127
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -325.065390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.065390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.065390 (E_RNA)
where:
Base-Base interactions energy: -216.787
where: short stacking energy: -91.298
Base-Backbone interact. energy: 1.365
local terms energy: -109.643171
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -28.049
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: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -332.415672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.415672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.415672 (E_RNA)
where:
Base-Base interactions energy: -219.241
where: short stacking energy: -80.097
Base-Backbone interact. energy: -0.174
local terms energy: -113.000739
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -308.629009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.629009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.629009 (E_RNA)
where:
Base-Base interactions energy: -202.030
where: short stacking energy: -98.603
Base-Backbone interact. energy: -0.004
local terms energy: -106.595625
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -30.179
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: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -293.017102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.017102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.017102 (E_RNA)
where:
Base-Base interactions energy: -184.681
where: short stacking energy: -95.728
Base-Backbone interact. energy: -0.139
local terms energy: -108.197760
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -276.079606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.079606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.079606 (E_RNA)
where:
Base-Base interactions energy: -185.378
where: short stacking energy: -81.048
Base-Backbone interact. energy: -0.186
local terms energy: -90.516282
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -273.948065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.948065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.948065 (E_RNA)
where:
Base-Base interactions energy: -170.712
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.086
local terms energy: -103.149968
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -250.797119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.797119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.797119 (E_RNA)
where:
Base-Base interactions energy: -160.779
where: short stacking energy: -75.276
Base-Backbone interact. energy: 0.503
local terms energy: -90.521747
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -14.446
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -135.566784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.566784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.566784 (E_RNA)
where:
Base-Base interactions energy: -59.755
where: short stacking energy: -41.922
Base-Backbone interact. energy: -1.072
local terms energy: -74.739308
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: 2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -211.896747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.896747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896747 (E_RNA)
where:
Base-Base interactions energy: -136.158
where: short stacking energy: -76.839
Base-Backbone interact. energy: -0.049
local terms energy: -75.690002
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -114.764665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.764665 (E_RNA)
where:
Base-Base interactions energy: -56.395
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.254
local terms energy: -58.116092
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -334.351486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.351486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.351486 (E_RNA)
where:
Base-Base interactions energy: -221.869
where: short stacking energy: -99.035
Base-Backbone interact. energy: 1.005
local terms energy: -113.487836
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -25.647
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: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -311.578956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.578956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.578956 (E_RNA)
where:
Base-Base interactions energy: -204.884
where: short stacking energy: -92.589
Base-Backbone interact. energy: -0.049
local terms energy: -106.646131
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -20.380
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -297.375972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.375972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.375972 (E_RNA)
where:
Base-Base interactions energy: -191.411
where: short stacking energy: -80.001
Base-Backbone interact. energy: -0.057
local terms energy: -105.907721
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -17.622
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: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -286.501160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.501160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.501160 (E_RNA)
where:
Base-Base interactions energy: -177.122
where: short stacking energy: -85.454
Base-Backbone interact. energy: -0.086
local terms energy: -109.293861
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -24.100
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -273.843547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.843547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.843547 (E_RNA)
where:
Base-Base interactions energy: -179.613
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.790
local terms energy: -93.440725
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -14.795
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -250.067168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.067168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.067168 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -72.411
Base-Backbone interact. energy: -0.031
local terms energy: -80.157423
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -247.200262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.200262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.200262 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.190
local terms energy: -91.761513
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -137.972816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.972816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.972816 (E_RNA)
where:
Base-Base interactions energy: -55.099
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.252
local terms energy: -82.621085
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -205.365694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.365694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.365694 (E_RNA)
where:
Base-Base interactions energy: -127.491
where: short stacking energy: -69.829
Base-Backbone interact. energy: -0.307
local terms energy: -77.567262
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -115.782571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.782571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.782571 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -38.875
Base-Backbone interact. energy: -0.226
local terms energy: -72.978087
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -330.153496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.153496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.153496 (E_RNA)
where:
Base-Base interactions energy: -221.865
where: short stacking energy: -94.881
Base-Backbone interact. energy: -0.504
local terms energy: -107.785152
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -20.645
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: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -306.274801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.274801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.274801 (E_RNA)
where:
Base-Base interactions energy: -196.684
where: short stacking energy: -90.498
Base-Backbone interact. energy: -2.479
local terms energy: -107.112026
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -23.903
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: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -310.343805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.343805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.343805 (E_RNA)
where:
Base-Base interactions energy: -197.521
where: short stacking energy: -90.870
Base-Backbone interact. energy: -0.984
local terms energy: -111.839257
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -18.693
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: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -287.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.038201 (E_RNA)
where:
Base-Base interactions energy: -184.080
where: short stacking energy: -89.493
Base-Backbone interact. energy: -1.044
local terms energy: -101.914325
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -266.227044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.227044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.227044 (E_RNA)
where:
Base-Base interactions energy: -171.309
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.197
local terms energy: -94.720571
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -286.571255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.571255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.571255 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -78.250
Base-Backbone interact. energy: -0.301
local terms energy: -103.169961
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -24.236
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: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -256.662639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.662639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.662639 (E_RNA)
where:
Base-Base interactions energy: -159.466
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.288
local terms energy: -96.909054
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -15.577
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: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -248.423175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.423175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.423175 (E_RNA)
where:
Base-Base interactions energy: -166.664
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.273
local terms energy: -81.486490
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -12.519
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: 113
Temperature: 1.300000
Total energy: -114.899302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.899302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.899302 (E_RNA)
where:
Base-Base interactions energy: -47.482
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.131
local terms energy: -67.286264
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -126.025632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.025632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.025632 (E_RNA)
where:
Base-Base interactions energy: -51.941
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.318
local terms energy: -73.766059
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -315.549933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.549933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.549933 (E_RNA)
where:
Base-Base interactions energy: -200.699
where: short stacking energy: -100.815
Base-Backbone interact. energy: -1.660
local terms energy: -113.190651
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -318.882617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.882617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.882617 (E_RNA)
where:
Base-Base interactions energy: -211.955
where: short stacking energy: -98.724
Base-Backbone interact. energy: 0.168
local terms energy: -107.095472
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -22.179
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: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -301.621294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.621294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.621294 (E_RNA)
where:
Base-Base interactions energy: -195.935
where: short stacking energy: -90.111
Base-Backbone interact. energy: -0.138
local terms energy: -105.547898
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -12.790
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -284.897279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.897279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.897279 (E_RNA)
where:
Base-Base interactions energy: -187.717
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.469
local terms energy: -96.711666
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -279.053633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.053633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.053633 (E_RNA)
where:
Base-Base interactions energy: -175.194
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.534
local terms energy: -103.325462
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -26.216
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -267.315230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.315230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.315230 (E_RNA)
where:
Base-Base interactions energy: -164.323
where: short stacking energy: -81.101
Base-Backbone interact. energy: -0.373
local terms energy: -102.619461
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -251.376053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.376053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.376053 (E_RNA)
where:
Base-Base interactions energy: -158.776
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.490
local terms energy: -92.109848
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -262.689367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.689367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.689367 (E_RNA)
where:
Base-Base interactions energy: -170.820
where: short stacking energy: -76.500
Base-Backbone interact. energy: 0.030
local terms energy: -91.899396
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -144.288489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.288489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.288489 (E_RNA)
where:
Base-Base interactions energy: -66.932
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.684
local terms energy: -76.671725
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -111.518584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.518584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.518584 (E_RNA)
where:
Base-Base interactions energy: -40.444
where: short stacking energy: -25.779
Base-Backbone interact. energy: 1.015
local terms energy: -72.088906
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -329.357541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.357541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.357541 (E_RNA)
where:
Base-Base interactions energy: -210.463
where: short stacking energy: -100.709
Base-Backbone interact. energy: -0.067
local terms energy: -118.827157
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -320.643116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.643116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.643116 (E_RNA)
where:
Base-Base interactions energy: -214.953
where: short stacking energy: -90.977
Base-Backbone interact. energy: -0.687
local terms energy: -105.003450
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -304.240401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.240401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.240401 (E_RNA)
where:
Base-Base interactions energy: -202.023
where: short stacking energy: -95.549
Base-Backbone interact. energy: 0.294
local terms energy: -102.511583
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -282.919452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.919452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.919452 (E_RNA)
where:
Base-Base interactions energy: -174.198
where: short stacking energy: -86.355
Base-Backbone interact. energy: -0.245
local terms energy: -108.476901
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -26.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -278.504850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.504850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.504850 (E_RNA)
where:
Base-Base interactions energy: -180.492
where: short stacking energy: -93.661
Base-Backbone interact. energy: -0.057
local terms energy: -97.955250
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -22.942
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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -239.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.240158 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -75.481
Base-Backbone interact. energy: 0.829
local terms energy: -93.607375
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -17.738
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: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -270.975274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.975274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.975274 (E_RNA)
where:
Base-Base interactions energy: -169.076
where: short stacking energy: -82.329
Base-Backbone interact. energy: -0.022
local terms energy: -101.877005
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -23.085
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: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -243.788811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.788811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.788811 (E_RNA)
where:
Base-Base interactions energy: -150.041
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.781
local terms energy: -92.966777
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -140.232935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.232935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.232935 (E_RNA)
where:
Base-Base interactions energy: -59.653
where: short stacking energy: -30.247
Base-Backbone interact. energy: 0.166
local terms energy: -80.746406
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -106.011006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.011006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.011006 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -32.937
Base-Backbone interact. energy: -0.130
local terms energy: -64.935088
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -322.538654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.538654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.538654 (E_RNA)
where:
Base-Base interactions energy: -214.875
where: short stacking energy: -105.801
Base-Backbone interact. energy: -0.105
local terms energy: -107.558422
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -326.530400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.530400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.530400 (E_RNA)
where:
Base-Base interactions energy: -219.760
where: short stacking energy: -95.329
Base-Backbone interact. energy: -0.175
local terms energy: -106.595509
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -22.650
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -307.389960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.389960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.389960 (E_RNA)
where:
Base-Base interactions energy: -208.392
where: short stacking energy: -86.061
Base-Backbone interact. energy: -0.379
local terms energy: -98.618762
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -11.133
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: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -280.134865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.134865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.134865 (E_RNA)
where:
Base-Base interactions energy: -176.544
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.368
local terms energy: -103.222724
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -271.431995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.431995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.431995 (E_RNA)
where:
Base-Base interactions energy: -180.664
where: short stacking energy: -78.979
Base-Backbone interact. energy: -0.186
local terms energy: -90.582194
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -264.339900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.339900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.339900 (E_RNA)
where:
Base-Base interactions energy: -160.385
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.154
local terms energy: -103.800477
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -240.917870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917870 (E_RNA)
where:
Base-Base interactions energy: -158.647
where: short stacking energy: -71.138
Base-Backbone interact. energy: 0.048
local terms energy: -82.318647
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -253.132551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.132551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.132551 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -82.147
Base-Backbone interact. energy: -0.026
local terms energy: -94.021305
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -113.456609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.456609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.456609 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -28.681
Base-Backbone interact. energy: 0.894
local terms energy: -75.084315
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -25.926
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -9.833
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: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -120.196394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.196394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.196394 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -33.842
Base-Backbone interact. energy: -0.276
local terms energy: -81.056335
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -7.082
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: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -297.744795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.744795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.744795 (E_RNA)
where:
Base-Base interactions energy: -191.293
where: short stacking energy: -98.346
Base-Backbone interact. energy: -0.323
local terms energy: -106.129033
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -21.248
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -318.376238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.376238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.376238 (E_RNA)
where:
Base-Base interactions energy: -212.139
where: short stacking energy: -90.266
Base-Backbone interact. energy: -0.167
local terms energy: -106.070382
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -310.563841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.563841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.563841 (E_RNA)
where:
Base-Base interactions energy: -201.318
where: short stacking energy: -94.353
Base-Backbone interact. energy: -0.140
local terms energy: -109.105832
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -26.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -289.727742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.727742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.727742 (E_RNA)
where:
Base-Base interactions energy: -187.625
where: short stacking energy: -91.285
Base-Backbone interact. energy: -0.299
local terms energy: -101.803968
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -277.320741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.320741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.320741 (E_RNA)
where:
Base-Base interactions energy: -169.172
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.157
local terms energy: -107.991808
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -17.311
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: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -273.349530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.349530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.349530 (E_RNA)
where:
Base-Base interactions energy: -180.210
where: short stacking energy: -88.711
Base-Backbone interact. energy: -0.852
local terms energy: -92.287171
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -14.495
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -267.185427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.185427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.185427 (E_RNA)
where:
Base-Base interactions energy: -174.375
where: short stacking energy: -71.058
Base-Backbone interact. energy: 0.110
local terms energy: -92.920519
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -249.186622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.186622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.186622 (E_RNA)
where:
Base-Base interactions energy: -157.018
where: short stacking energy: -70.158
Base-Backbone interact. energy: -1.161
local terms energy: -91.008340
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -17.584
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: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -110.939937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.939937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.939937 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -26.719
Base-Backbone interact. energy: -0.790
local terms energy: -72.937139
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: 2.325
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: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -109.133043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.133043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.133043 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -42.051
Base-Backbone interact. energy: -0.641
local terms energy: -66.260632
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -338.053622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.053622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.053622 (E_RNA)
where:
Base-Base interactions energy: -229.190
where: short stacking energy: -105.436
Base-Backbone interact. energy: -0.292
local terms energy: -108.570976
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -24.879
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -301.035326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.035326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.035326 (E_RNA)
where:
Base-Base interactions energy: -199.592
where: short stacking energy: -87.801
Base-Backbone interact. energy: -0.682
local terms energy: -100.761901
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -300.094440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.094440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.094440 (E_RNA)
where:
Base-Base interactions energy: -194.887
where: short stacking energy: -90.471
Base-Backbone interact. energy: 0.989
local terms energy: -106.196393
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -295.898123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.898123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.898123 (E_RNA)
where:
Base-Base interactions energy: -189.869
where: short stacking energy: -100.762
Base-Backbone interact. energy: 0.438
local terms energy: -106.467268
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -16.014
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: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -268.091495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.091495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.091495 (E_RNA)
where:
Base-Base interactions energy: -168.946
where: short stacking energy: -88.134
Base-Backbone interact. energy: -0.147
local terms energy: -98.998619
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -22.196
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: 118
Temperature: 1.150000
Total energy: -266.835723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.835723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.835723 (E_RNA)
where:
Base-Base interactions energy: -175.114
where: short stacking energy: -71.438
Base-Backbone interact. energy: 1.114
local terms energy: -92.836081
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -18.791
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: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -242.905447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.905447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.905447 (E_RNA)
where:
Base-Base interactions energy: -147.025
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.471
local terms energy: -95.409130
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -257.340059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.340059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.340059 (E_RNA)
where:
Base-Base interactions energy: -176.198
where: short stacking energy: -72.217
Base-Backbone interact. energy: -1.531
local terms energy: -79.611495
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -126.054461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.054461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.054461 (E_RNA)
where:
Base-Base interactions energy: -53.525
where: short stacking energy: -35.953
Base-Backbone interact. energy: -1.037
local terms energy: -71.492689
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -111.907307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.907307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.907307 (E_RNA)
where:
Base-Base interactions energy: -44.269
where: short stacking energy: -31.901
Base-Backbone interact. energy: -0.285
local terms energy: -67.353367
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -340.492965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.492965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.492965 (E_RNA)
where:
Base-Base interactions energy: -220.220
where: short stacking energy: -104.363
Base-Backbone interact. energy: 1.914
local terms energy: -122.187007
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -27.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -289.219104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.219104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.219104 (E_RNA)
where:
Base-Base interactions energy: -187.294
where: short stacking energy: -87.431
Base-Backbone interact. energy: -0.501
local terms energy: -101.424292
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -15.012
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -306.243906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.243906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.243906 (E_RNA)
where:
Base-Base interactions energy: -193.165
where: short stacking energy: -103.021
Base-Backbone interact. energy: -0.104
local terms energy: -112.975352
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -30.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -277.815592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.815592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.815592 (E_RNA)
where:
Base-Base interactions energy: -180.921
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.484
local terms energy: -96.410756
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -18.229
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: 119
Temperature: 1.100000
Total energy: -291.118182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.118182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.118182 (E_RNA)
where:
Base-Base interactions energy: -189.820
where: short stacking energy: -88.882
Base-Backbone interact. energy: -0.396
local terms energy: -100.902239
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -264.550893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.550893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.550893 (E_RNA)
where:
Base-Base interactions energy: -167.781
where: short stacking energy: -80.805
Base-Backbone interact. energy: -0.795
local terms energy: -95.975752
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -246.363967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.363967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.363967 (E_RNA)
where:
Base-Base interactions energy: -163.791
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.376
local terms energy: -82.197345
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -244.810753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.810753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.810753 (E_RNA)
where:
Base-Base interactions energy: -159.576
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.826
local terms energy: -84.408503
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -125.612553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.612553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.612553 (E_RNA)
where:
Base-Base interactions energy: -57.300
where: short stacking energy: -32.356
Base-Backbone interact. energy: 4.110
local terms energy: -72.422303
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -115.141598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.141598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.141598 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -39.844
Base-Backbone interact. energy: -0.461
local terms energy: -74.263146
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -6.399
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -301.514986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.514986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.514986 (E_RNA)
where:
Base-Base interactions energy: -195.185
where: short stacking energy: -105.305
Base-Backbone interact. energy: -0.044
local terms energy: -106.286308
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -314.698503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.698503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.698503 (E_RNA)
where:
Base-Base interactions energy: -206.066
where: short stacking energy: -91.195
Base-Backbone interact. energy: 0.335
local terms energy: -108.967063
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -22.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -305.799553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.799553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.799553 (E_RNA)
where:
Base-Base interactions energy: -195.978
where: short stacking energy: -102.725
Base-Backbone interact. energy: -0.071
local terms energy: -109.751084
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -30.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -297.447782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447782 (E_RNA)
where:
Base-Base interactions energy: -200.908
where: short stacking energy: -98.096
Base-Backbone interact. energy: -0.130
local terms energy: -96.409532
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -275.682911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.682911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.682911 (E_RNA)
where:
Base-Base interactions energy: -185.810
where: short stacking energy: -91.196
Base-Backbone interact. energy: -0.744
local terms energy: -89.128324
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -272.892836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.892836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.892836 (E_RNA)
where:
Base-Base interactions energy: -178.924
where: short stacking energy: -77.399
Base-Backbone interact. energy: 0.438
local terms energy: -94.406900
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -16.202
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: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -278.055221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.055221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.055221 (E_RNA)
where:
Base-Base interactions energy: -191.345
where: short stacking energy: -85.237
Base-Backbone interact. energy: -0.243
local terms energy: -86.466719
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -22.409
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: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -242.217291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.217291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.217291 (E_RNA)
where:
Base-Base interactions energy: -160.983
where: short stacking energy: -74.332
Base-Backbone interact. energy: -0.351
local terms energy: -80.882827
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -18.708
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: 120
Temperature: 1.300000
Total energy: -121.466697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.466697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.466697 (E_RNA)
where:
Base-Base interactions energy: -50.941
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.142
local terms energy: -70.383848
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -2.322
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: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -112.117546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.117546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.117546 (E_RNA)
where:
Base-Base interactions energy: -45.444
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.627
local terms energy: -66.046260
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -0.564
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -302.368274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.368274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.368274 (E_RNA)
where:
Base-Base interactions energy: -192.100
where: short stacking energy: -102.449
Base-Backbone interact. energy: -0.037
local terms energy: -110.232025
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -310.583747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.583747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.583747 (E_RNA)
where:
Base-Base interactions energy: -213.169
where: short stacking energy: -93.218
Base-Backbone interact. energy: -0.314
local terms energy: -97.099889
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -14.066
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: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -297.885983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.885983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.885983 (E_RNA)
where:
Base-Base interactions energy: -189.399
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.010
local terms energy: -108.476360
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -26.662
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: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -299.723847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.723847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.723847 (E_RNA)
where:
Base-Base interactions energy: -194.195
where: short stacking energy: -102.515
Base-Backbone interact. energy: 0.369
local terms energy: -105.898329
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -19.014
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -255.337613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.337613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.337613 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.017
local terms energy: -96.744620
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -267.263930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.263930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.263930 (E_RNA)
where:
Base-Base interactions energy: -180.639
where: short stacking energy: -82.207
Base-Backbone interact. energy: -1.921
local terms energy: -84.703469
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -7.611
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -256.782122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.782122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.782122 (E_RNA)
where:
Base-Base interactions energy: -167.879
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.758
local terms energy: -88.145003
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.498
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: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -248.268084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.268084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.268084 (E_RNA)
where:
Base-Base interactions energy: -161.811
where: short stacking energy: -81.743
Base-Backbone interact. energy: -0.110
local terms energy: -86.347494
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -23.954
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: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -113.131480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.131480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.131480 (E_RNA)
where:
Base-Base interactions energy: -42.326
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.618
local terms energy: -70.187383
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -107.633304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.633304 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -31.721
Base-Backbone interact. energy: 0.023
local terms energy: -67.123439
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -330.067252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.067252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.067252 (E_RNA)
where:
Base-Base interactions energy: -219.723
where: short stacking energy: -99.435
Base-Backbone interact. energy: 0.386
local terms energy: -110.730415
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -310.764445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.764445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.764445 (E_RNA)
where:
Base-Base interactions energy: -190.847
where: short stacking energy: -99.046
Base-Backbone interact. energy: -0.298
local terms energy: -119.619224
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -32.505
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: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -294.636991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.636991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.636991 (E_RNA)
where:
Base-Base interactions energy: -189.955
where: short stacking energy: -96.946
Base-Backbone interact. energy: -0.004
local terms energy: -104.677625
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -279.107113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.107113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.107113 (E_RNA)
where:
Base-Base interactions energy: -172.920
where: short stacking energy: -80.793
Base-Backbone interact. energy: -0.008
local terms energy: -106.179209
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -23.101
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: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -274.621175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.621175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.621175 (E_RNA)
where:
Base-Base interactions energy: -159.774
where: short stacking energy: -70.751
Base-Backbone interact. energy: -0.713
local terms energy: -114.133797
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -281.297990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.297990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.297990 (E_RNA)
where:
Base-Base interactions energy: -182.734
where: short stacking energy: -88.381
Base-Backbone interact. energy: -0.441
local terms energy: -98.122798
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -259.023263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.023263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.023263 (E_RNA)
where:
Base-Base interactions energy: -155.939
where: short stacking energy: -74.105
Base-Backbone interact. energy: -0.938
local terms energy: -102.146107
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -17.294
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -249.633809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.633809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.633809 (E_RNA)
where:
Base-Base interactions energy: -157.731
where: short stacking energy: -74.680
Base-Backbone interact. energy: -0.272
local terms energy: -91.630436
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -16.283
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: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -141.703187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.703187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.703187 (E_RNA)
where:
Base-Base interactions energy: -74.460
where: short stacking energy: -38.271
Base-Backbone interact. energy: -1.141
local terms energy: -66.102835
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: 1.661
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -103.643684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.643684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.643684 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.095
local terms energy: -77.074702
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -332.693638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.693638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.693638 (E_RNA)
where:
Base-Base interactions energy: -222.630
where: short stacking energy: -99.884
Base-Backbone interact. energy: -0.256
local terms energy: -109.807334
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -313.409297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.409297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.409297 (E_RNA)
where:
Base-Base interactions energy: -202.547
where: short stacking energy: -97.406
Base-Backbone interact. energy: -0.070
local terms energy: -110.791824
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -292.989270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.989270 (E_RNA)
where:
Base-Base interactions energy: -189.755
where: short stacking energy: -102.335
Base-Backbone interact. energy: -0.045
local terms energy: -103.189176
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -30.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -276.646052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.646052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.646052 (E_RNA)
where:
Base-Base interactions energy: -167.334
where: short stacking energy: -73.653
Base-Backbone interact. energy: -0.209
local terms energy: -109.103840
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -303.479402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.479402 (E_RNA)
where:
Base-Base interactions energy: -212.130
where: short stacking energy: -92.790
Base-Backbone interact. energy: -0.118
local terms energy: -91.231887
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -16.879
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: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -269.475324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.475324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.475324 (E_RNA)
where:
Base-Base interactions energy: -168.673
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.063
local terms energy: -100.739930
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -15.979
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: 123
Temperature: 1.200000
Total energy: -275.220184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.220184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.220184 (E_RNA)
where:
Base-Base interactions energy: -168.643
where: short stacking energy: -74.900
Base-Backbone interact. energy: 0.228
local terms energy: -106.805747
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -242.366698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.366698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.366698 (E_RNA)
where:
Base-Base interactions energy: -150.697
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.094
local terms energy: -91.575894
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -14.455
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: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -133.590083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.590083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.590083 (E_RNA)
where:
Base-Base interactions energy: -47.526
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.084
local terms energy: -85.980954
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -129.360446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.360446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.360446 (E_RNA)
where:
Base-Base interactions energy: -69.048
where: short stacking energy: -45.241
Base-Backbone interact. energy: -0.387
local terms energy: -59.925484
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -316.766983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.766983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.766983 (E_RNA)
where:
Base-Base interactions energy: -216.542
where: short stacking energy: -96.274
Base-Backbone interact. energy: -0.303
local terms energy: -99.922480
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -312.478105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.478105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.478105 (E_RNA)
where:
Base-Base interactions energy: -197.532
where: short stacking energy: -98.939
Base-Backbone interact. energy: -0.749
local terms energy: -114.197378
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -297.075798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.075798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.075798 (E_RNA)
where:
Base-Base interactions energy: -191.308
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.006
local terms energy: -105.761194
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -291.656314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.656314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.656314 (E_RNA)
where:
Base-Base interactions energy: -186.972
where: short stacking energy: -85.990
Base-Backbone interact. energy: -0.757
local terms energy: -103.927677
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -24.970
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: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -294.905991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.905991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.905991 (E_RNA)
where:
Base-Base interactions energy: -186.708
where: short stacking energy: -87.810
Base-Backbone interact. energy: -0.134
local terms energy: -108.064372
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -26.690
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: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -262.619019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.619019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.619019 (E_RNA)
where:
Base-Base interactions energy: -167.770
where: short stacking energy: -83.747
Base-Backbone interact. energy: -1.001
local terms energy: -93.848086
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -13.813
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: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -257.166847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.166847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.166847 (E_RNA)
where:
Base-Base interactions energy: -159.470
where: short stacking energy: -79.037
Base-Backbone interact. energy: -0.265
local terms energy: -97.431492
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -20.948
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: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -243.406419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.406419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.406419 (E_RNA)
where:
Base-Base interactions energy: -158.087
where: short stacking energy: -70.523
Base-Backbone interact. energy: -0.011
local terms energy: -85.308376
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -197.822403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.822403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.822403 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -49.954
Base-Backbone interact. energy: -2.147
local terms energy: -68.414488
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -123.450817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.450817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.450817 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -41.641
Base-Backbone interact. energy: 0.854
local terms energy: -78.498940
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -326.245085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.245085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.245085 (E_RNA)
where:
Base-Base interactions energy: -215.633
where: short stacking energy: -96.880
Base-Backbone interact. energy: -0.361
local terms energy: -110.250947
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -312.577913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.577913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.577913 (E_RNA)
where:
Base-Base interactions energy: -195.184
where: short stacking energy: -87.837
Base-Backbone interact. energy: -0.152
local terms energy: -117.241761
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -26.190
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: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -290.774537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.774537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.774537 (E_RNA)
where:
Base-Base interactions energy: -186.989
where: short stacking energy: -86.412
Base-Backbone interact. energy: -0.060
local terms energy: -103.725398
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -298.274412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.274412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.274412 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -98.626
Base-Backbone interact. energy: -0.468
local terms energy: -106.479154
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -16.190
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: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -262.568273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.568273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.568273 (E_RNA)
where:
Base-Base interactions energy: -157.874
where: short stacking energy: -80.235
Base-Backbone interact. energy: -0.427
local terms energy: -104.267154
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -270.783156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.783156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.783156 (E_RNA)
where:
Base-Base interactions energy: -177.808
where: short stacking energy: -84.405
Base-Backbone interact. energy: 1.398
local terms energy: -94.373062
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -260.025534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.025534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.025534 (E_RNA)
where:
Base-Base interactions energy: -161.448
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.092
local terms energy: -98.485971
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -226.137035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.137035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.137035 (E_RNA)
where:
Base-Base interactions energy: -141.278
where: short stacking energy: -67.294
Base-Backbone interact. energy: 0.558
local terms energy: -85.417244
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -231.964934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.964934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.964934 (E_RNA)
where:
Base-Base interactions energy: -154.959
where: short stacking energy: -64.331
Base-Backbone interact. energy: -1.205
local terms energy: -75.800657
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -8.000
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: 125
Temperature: 1.350000
Total energy: -149.061885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.061885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.061885 (E_RNA)
where:
Base-Base interactions energy: -80.448
where: short stacking energy: -50.196
Base-Backbone interact. energy: 0.208
local terms energy: -68.822153
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -320.918634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.918634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.918634 (E_RNA)
where:
Base-Base interactions energy: -215.135
where: short stacking energy: -89.179
Base-Backbone interact. energy: -0.626
local terms energy: -105.157438
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -18.009
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: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -304.031508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.031508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.031508 (E_RNA)
where:
Base-Base interactions energy: -199.932
where: short stacking energy: -95.395
Base-Backbone interact. energy: -0.338
local terms energy: -103.762306
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -301.251051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.251051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.251051 (E_RNA)
where:
Base-Base interactions energy: -187.784
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.136
local terms energy: -113.331109
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -30.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -305.792565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.792565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.792565 (E_RNA)
where:
Base-Base interactions energy: -195.356
where: short stacking energy: -91.348
Base-Backbone interact. energy: -0.106
local terms energy: -110.330364
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -268.977333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.977333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.977333 (E_RNA)
where:
Base-Base interactions energy: -166.350
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.114
local terms energy: -102.513272
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -272.971422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.971422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.971422 (E_RNA)
where:
Base-Base interactions energy: -174.822
where: short stacking energy: -77.101
Base-Backbone interact. energy: -0.086
local terms energy: -98.063838
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -19.049
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: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -232.046689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.046689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.046689 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.066
local terms energy: -88.639525
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -248.047648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.047648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.047648 (E_RNA)
where:
Base-Base interactions energy: -160.549
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.869
local terms energy: -86.629109
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -230.576872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.576872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.576872 (E_RNA)
where:
Base-Base interactions energy: -148.380
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.276
local terms energy: -81.920741
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -12.841
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: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -109.553508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.553508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.553508 (E_RNA)
where:
Base-Base interactions energy: -42.921
where: short stacking energy: -33.061
Base-Backbone interact. energy: 0.446
local terms energy: -67.078168
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -323.494194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.494194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.494194 (E_RNA)
where:
Base-Base interactions energy: -209.936
where: short stacking energy: -94.637
Base-Backbone interact. energy: -0.501
local terms energy: -113.056939
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -299.639530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.639530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.639530 (E_RNA)
where:
Base-Base interactions energy: -184.722
where: short stacking energy: -85.702
Base-Backbone interact. energy: -0.291
local terms energy: -114.626580
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -26.214
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -287.335148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.335148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.335148 (E_RNA)
where:
Base-Base interactions energy: -179.410
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.114
local terms energy: -107.810637
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -20.023
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -262.084267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.084267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.084267 (E_RNA)
where:
Base-Base interactions energy: -159.850
where: short stacking energy: -78.933
Base-Backbone interact. energy: -0.114
local terms energy: -102.120526
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -274.493825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.493825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.493825 (E_RNA)
where:
Base-Base interactions energy: -182.786
where: short stacking energy: -77.510
Base-Backbone interact. energy: -0.334
local terms energy: -91.373991
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -266.673181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.673181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.673181 (E_RNA)
where:
Base-Base interactions energy: -178.738
where: short stacking energy: -82.602
Base-Backbone interact. energy: -0.268
local terms energy: -87.667541
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -244.251237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.251237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.251237 (E_RNA)
where:
Base-Base interactions energy: -154.284
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.169
local terms energy: -89.797658
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -255.832790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.832790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.832790 (E_RNA)
where:
Base-Base interactions energy: -159.722
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.093
local terms energy: -96.017005
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -231.809249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809249 (E_RNA)
where:
Base-Base interactions energy: -146.809
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.184
local terms energy: -84.816587
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -15.634
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: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -114.262405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.262405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.262405 (E_RNA)
where:
Base-Base interactions energy: -49.231
where: short stacking energy: -39.726
Base-Backbone interact. energy: -1.545
local terms energy: -63.487012
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -318.255793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.255793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.255793 (E_RNA)
where:
Base-Base interactions energy: -206.128
where: short stacking energy: -89.606
Base-Backbone interact. energy: -0.345
local terms energy: -111.782826
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -22.236
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: 128
Temperature: 0.950000
Total energy: -323.869847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.869847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.869847 (E_RNA)
where:
Base-Base interactions energy: -218.635
where: short stacking energy: -99.969
Base-Backbone interact. energy: 0.325
local terms energy: -105.560199
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -25.368
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: 128
Temperature: 1.000000
Total energy: -298.789909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.789909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.789909 (E_RNA)
where:
Base-Base interactions energy: -190.425
where: short stacking energy: -92.993
Base-Backbone interact. energy: -1.159
local terms energy: -107.205987
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -22.851
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -287.790674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.790674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.790674 (E_RNA)
where:
Base-Base interactions energy: -189.160
where: short stacking energy: -88.866
Base-Backbone interact. energy: 0.723
local terms energy: -99.353403
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -16.238
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: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -281.893834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.893834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.893834 (E_RNA)
where:
Base-Base interactions energy: -182.158
where: short stacking energy: -93.587
Base-Backbone interact. energy: -0.488
local terms energy: -99.248492
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -28.186
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: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -260.689590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.689590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.689590 (E_RNA)
where:
Base-Base interactions energy: -168.994
where: short stacking energy: -76.634
Base-Backbone interact. energy: -1.018
local terms energy: -90.678356
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -263.587506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.587506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.587506 (E_RNA)
where:
Base-Base interactions energy: -169.526
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.041
local terms energy: -94.021202
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -18.693
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: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -255.551847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.551847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.551847 (E_RNA)
where:
Base-Base interactions energy: -152.938
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.380
local terms energy: -102.233895
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -232.990479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.990479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.990479 (E_RNA)
where:
Base-Base interactions energy: -158.922
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.553
local terms energy: -73.515661
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -11.844
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: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -109.234542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.234542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.234542 (E_RNA)
where:
Base-Base interactions energy: -48.344
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.314
local terms energy: -60.576873
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -325.437434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.437434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.437434 (E_RNA)
where:
Base-Base interactions energy: -215.752
where: short stacking energy: -99.534
Base-Backbone interact. energy: -1.225
local terms energy: -108.460681
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -329.373559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.373559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.373559 (E_RNA)
where:
Base-Base interactions energy: -219.730
where: short stacking energy: -93.905
Base-Backbone interact. energy: -0.792
local terms energy: -108.851544
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -299.166582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.166582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.166582 (E_RNA)
where:
Base-Base interactions energy: -194.052
where: short stacking energy: -82.156
Base-Backbone interact. energy: 0.112
local terms energy: -105.226615
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -20.756
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: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -269.624243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.624243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.624243 (E_RNA)
where:
Base-Base interactions energy: -171.161
where: short stacking energy: -84.738
Base-Backbone interact. energy: -0.098
local terms energy: -98.364766
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -280.239765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.239765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.239765 (E_RNA)
where:
Base-Base interactions energy: -177.611
where: short stacking energy: -88.485
Base-Backbone interact. energy: -0.213
local terms energy: -102.415997
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -14.188
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: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -285.537353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.537353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.537353 (E_RNA)
where:
Base-Base interactions energy: -188.747
where: short stacking energy: -84.877
Base-Backbone interact. energy: 0.539
local terms energy: -97.329321
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -22.676
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: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -251.006406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.006406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.006406 (E_RNA)
where:
Base-Base interactions energy: -157.428
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.210
local terms energy: -93.368790
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -25.623
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -13.744
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: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -229.808683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.808683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.808683 (E_RNA)
where:
Base-Base interactions energy: -146.165
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.083
local terms energy: -83.560698
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -220.400029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.400029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.400029 (E_RNA)
where:
Base-Base interactions energy: -144.404
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.891
local terms energy: -75.105214
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -113.135882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.135882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.135882 (E_RNA)
where:
Base-Base interactions energy: -45.764
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.509
local terms energy: -66.862680
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -2.853
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -324.397175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.397175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.397175 (E_RNA)
where:
Base-Base interactions energy: -221.663
where: short stacking energy: -97.158
Base-Backbone interact. energy: -1.017
local terms energy: -101.717122
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -325.851189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.851189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.851189 (E_RNA)
where:
Base-Base interactions energy: -211.076
where: short stacking energy: -101.629
Base-Backbone interact. energy: -0.774
local terms energy: -114.001070
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -34.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -280.495416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.495416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.495416 (E_RNA)
where:
Base-Base interactions energy: -173.546
where: short stacking energy: -91.465
Base-Backbone interact. energy: -0.282
local terms energy: -106.667560
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -305.992649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.992649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.992649 (E_RNA)
where:
Base-Base interactions energy: -195.977
where: short stacking energy: -94.400
Base-Backbone interact. energy: -0.517
local terms energy: -109.498867
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -27.869
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: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -284.852054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.852054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.852054 (E_RNA)
where:
Base-Base interactions energy: -185.478
where: short stacking energy: -83.628
Base-Backbone interact. energy: -0.302
local terms energy: -99.072733
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.470
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: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -257.746866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.746866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.746866 (E_RNA)
where:
Base-Base interactions energy: -156.410
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.428
local terms energy: -100.908526
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -17.737
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: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -239.745446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.745446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.745446 (E_RNA)
where:
Base-Base interactions energy: -156.996
where: short stacking energy: -74.715
Base-Backbone interact. energy: -0.216
local terms energy: -82.533283
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -14.224
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: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -211.808870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.808870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.808870 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.104
local terms energy: -86.160160
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -235.566500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.566500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.566500 (E_RNA)
where:
Base-Base interactions energy: -156.106
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.133
local terms energy: -79.327403
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -106.176417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.176417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.176417 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.106
local terms energy: -69.327692
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: 0.473
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -331.392620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.392620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.392620 (E_RNA)
where:
Base-Base interactions energy: -221.248
where: short stacking energy: -86.535
Base-Backbone interact. energy: 1.370
local terms energy: -111.514695
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -293.895691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.895691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.895691 (E_RNA)
where:
Base-Base interactions energy: -180.779
where: short stacking energy: -83.066
Base-Backbone interact. energy: -0.118
local terms energy: -112.998648
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -21.462
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: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -330.216893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.216893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.216893 (E_RNA)
where:
Base-Base interactions energy: -218.669
where: short stacking energy: -100.123
Base-Backbone interact. energy: -1.093
local terms energy: -110.454933
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -15.657
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: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -282.365348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.365348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.365348 (E_RNA)
where:
Base-Base interactions energy: -174.502
where: short stacking energy: -91.401
Base-Backbone interact. energy: -0.039
local terms energy: -107.824366
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -278.721003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.721003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.721003 (E_RNA)
where:
Base-Base interactions energy: -187.359
where: short stacking energy: -81.166
Base-Backbone interact. energy: -0.198
local terms energy: -91.163654
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -277.222793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.222793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.222793 (E_RNA)
where:
Base-Base interactions energy: -171.255
where: short stacking energy: -84.993
Base-Backbone interact. energy: -0.067
local terms energy: -105.900834
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -249.914698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.914698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.914698 (E_RNA)
where:
Base-Base interactions energy: -161.662
where: short stacking energy: -77.362
Base-Backbone interact. energy: -0.248
local terms energy: -88.005043
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -238.808364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.808364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.808364 (E_RNA)
where:
Base-Base interactions energy: -170.042
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.826
local terms energy: -67.940138
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -204.238819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.238819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.238819 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.090
local terms energy: -89.223417
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -115.426304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.426304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.426304 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.369
local terms energy: -70.496721
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -297.255206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.255206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.255206 (E_RNA)
where:
Base-Base interactions energy: -187.940
where: short stacking energy: -97.964
Base-Backbone interact. energy: 0.712
local terms energy: -110.027820
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -322.185914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.185914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.185914 (E_RNA)
where:
Base-Base interactions energy: -221.719
where: short stacking energy: -88.230
Base-Backbone interact. energy: -1.153
local terms energy: -99.314367
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -20.584
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: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -294.967677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.967677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.967677 (E_RNA)
where:
Base-Base interactions energy: -199.212
where: short stacking energy: -98.186
Base-Backbone interact. energy: -0.088
local terms energy: -95.667860
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -23.296
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -290.872551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.872551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.872551 (E_RNA)
where:
Base-Base interactions energy: -191.115
where: short stacking energy: -83.479
Base-Backbone interact. energy: 0.617
local terms energy: -100.374756
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -274.779474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.779474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.779474 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -87.908
Base-Backbone interact. energy: -0.144
local terms energy: -98.663866
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -273.955810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.955810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.955810 (E_RNA)
where:
Base-Base interactions energy: -174.941
where: short stacking energy: -69.955
Base-Backbone interact. energy: 0.075
local terms energy: -99.090401
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -264.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.213117 (E_RNA)
where:
Base-Base interactions energy: -165.621
where: short stacking energy: -72.980
Base-Backbone interact. energy: -0.056
local terms energy: -98.535439
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -18.876
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -225.916983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.916983 (E_RNA)
where:
Base-Base interactions energy: -134.445
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.241
local terms energy: -91.230564
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -204.285410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.285410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.285410 (E_RNA)
where:
Base-Base interactions energy: -126.703
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.076
local terms energy: -77.506237
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -106.826915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.826915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.826915 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -30.643
Base-Backbone interact. energy: 0.688
local terms energy: -72.628654
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -2.822
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: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -298.573946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.573946 (E_RNA)
where:
Base-Base interactions energy: -200.721
where: short stacking energy: -84.830
Base-Backbone interact. energy: -0.191
local terms energy: -97.662611
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -318.109213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.109213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.109213 (E_RNA)
where:
Base-Base interactions energy: -213.483
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.075
local terms energy: -104.551658
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -24.490
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: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -295.691533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.691533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.691533 (E_RNA)
where:
Base-Base interactions energy: -187.446
where: short stacking energy: -91.466
Base-Backbone interact. energy: -0.165
local terms energy: -108.080575
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -295.128949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.128949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.128949 (E_RNA)
where:
Base-Base interactions energy: -193.162
where: short stacking energy: -93.145
Base-Backbone interact. energy: -0.273
local terms energy: -101.693914
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -26.978
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: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -275.493164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.493164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.493164 (E_RNA)
where:
Base-Base interactions energy: -185.255
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.215
local terms energy: -90.022685
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -17.767
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -274.741854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.741854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.741854 (E_RNA)
where:
Base-Base interactions energy: -176.672
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.251
local terms energy: -97.819740
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -254.719208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.719208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.719208 (E_RNA)
where:
Base-Base interactions energy: -158.285
where: short stacking energy: -73.062
Base-Backbone interact. energy: 0.482
local terms energy: -96.915380
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -14.905
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -218.491336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.491336 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -62.014
Base-Backbone interact. energy: 0.712
local terms energy: -84.755576
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -213.932919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.932919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932919 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -62.087
Base-Backbone interact. energy: 0.822
local terms energy: -82.611524
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -15.106
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: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -111.285399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.285399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.285399 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.312
local terms energy: -64.666902
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -2.778
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: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -331.210710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.210710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.210710 (E_RNA)
where:
Base-Base interactions energy: -214.830
where: short stacking energy: -93.539
Base-Backbone interact. energy: 1.285
local terms energy: -117.666158
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -28.503
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -333.818006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.818006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.818006 (E_RNA)
where:
Base-Base interactions energy: -222.552
where: short stacking energy: -85.192
Base-Backbone interact. energy: -0.778
local terms energy: -110.488835
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -294.424341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.424341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.424341 (E_RNA)
where:
Base-Base interactions energy: -189.981
where: short stacking energy: -82.858
Base-Backbone interact. energy: -0.153
local terms energy: -104.290068
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -19.812
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: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -290.097504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.097504 (E_RNA)
where:
Base-Base interactions energy: -185.142
where: short stacking energy: -82.210
Base-Backbone interact. energy: 0.011
local terms energy: -104.966277
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -256.176699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.176699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.176699 (E_RNA)
where:
Base-Base interactions energy: -158.031
where: short stacking energy: -68.578
Base-Backbone interact. energy: -0.325
local terms energy: -97.820469
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -266.768920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.768920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.768920 (E_RNA)
where:
Base-Base interactions energy: -179.285
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.072
local terms energy: -87.412442
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -11.591
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: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -248.572158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.572158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.572158 (E_RNA)
where:
Base-Base interactions energy: -166.375
where: short stacking energy: -65.161
Base-Backbone interact. energy: 0.073
local terms energy: -82.270075
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -255.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.149555 (E_RNA)
where:
Base-Base interactions energy: -175.584
where: short stacking energy: -78.532
Base-Backbone interact. energy: -0.187
local terms energy: -79.378023
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -201.290194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290194 (E_RNA)
where:
Base-Base interactions energy: -112.751
where: short stacking energy: -54.073
Base-Backbone interact. energy: -1.214
local terms energy: -87.325832
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -102.690181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.690181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.690181 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.408
local terms energy: -67.303088
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -324.558979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.558979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.558979 (E_RNA)
where:
Base-Base interactions energy: -218.420
where: short stacking energy: -84.285
Base-Backbone interact. energy: -0.755
local terms energy: -105.384224
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -17.100
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -300.396950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.396950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.396950 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -88.258
Base-Backbone interact. energy: 1.725
local terms energy: -116.812496
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -325.994643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.994643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.994643 (E_RNA)
where:
Base-Base interactions energy: -219.930
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.692
local terms energy: -105.372982
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -298.125131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.125131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.125131 (E_RNA)
where:
Base-Base interactions energy: -178.283
where: short stacking energy: -92.262
Base-Backbone interact. energy: -0.003
local terms energy: -119.839092
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -268.159205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.159205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.159205 (E_RNA)
where:
Base-Base interactions energy: -164.628
where: short stacking energy: -82.355
Base-Backbone interact. energy: -1.097
local terms energy: -102.433696
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -14.693
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -255.048856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.048856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.048856 (E_RNA)
where:
Base-Base interactions energy: -162.452
where: short stacking energy: -88.639
Base-Backbone interact. energy: -0.022
local terms energy: -92.574663
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -262.483224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.483224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483224 (E_RNA)
where:
Base-Base interactions energy: -164.974
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.022
local terms energy: -97.487231
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -254.282789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.282789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.282789 (E_RNA)
where:
Base-Base interactions energy: -168.770
where: short stacking energy: -76.033
Base-Backbone interact. energy: -0.183
local terms energy: -85.330143
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -201.332772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.332772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.332772 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -55.353
Base-Backbone interact. energy: -0.912
local terms energy: -73.825261
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -112.999406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.999406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.999406 (E_RNA)
where:
Base-Base interactions energy: -49.158
where: short stacking energy: -43.047
Base-Backbone interact. energy: 1.059
local terms energy: -64.899635
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -325.042241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.042241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.042241 (E_RNA)
where:
Base-Base interactions energy: -217.832
where: short stacking energy: -94.438
Base-Backbone interact. energy: 0.603
local terms energy: -107.812965
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -298.700384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.700384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.700384 (E_RNA)
where:
Base-Base interactions energy: -195.212
where: short stacking energy: -99.981
Base-Backbone interact. energy: -0.102
local terms energy: -103.386444
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -317.646212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.646212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.646212 (E_RNA)
where:
Base-Base interactions energy: -213.631
where: short stacking energy: -89.798
Base-Backbone interact. energy: -0.343
local terms energy: -103.671883
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -23.459
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: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -285.509938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.509938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.509938 (E_RNA)
where:
Base-Base interactions energy: -184.264
where: short stacking energy: -85.176
Base-Backbone interact. energy: -0.178
local terms energy: -101.068407
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -295.386412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.386412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.386412 (E_RNA)
where:
Base-Base interactions energy: -199.575
where: short stacking energy: -89.557
Base-Backbone interact. energy: -1.234
local terms energy: -94.577089
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -14.290
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: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -252.968227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.968227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.968227 (E_RNA)
where:
Base-Base interactions energy: -158.389
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.925
local terms energy: -93.653806
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -17.821
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: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -243.298006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.298006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.298006 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -73.246
Base-Backbone interact. energy: -1.408
local terms energy: -99.391518
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -17.049
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: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -230.091810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.091810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.091810 (E_RNA)
where:
Base-Base interactions energy: -153.577
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.179
local terms energy: -76.335698
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -200.423854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.423854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.423854 (E_RNA)
where:
Base-Base interactions energy: -121.879
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.430
local terms energy: -78.115413
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -11.183
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: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -111.342713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.342713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.342713 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -24.042
Base-Backbone interact. energy: 1.027
local terms energy: -79.122400
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -329.433651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.433651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.433651 (E_RNA)
where:
Base-Base interactions energy: -213.380
where: short stacking energy: -93.947
Base-Backbone interact. energy: -0.157
local terms energy: -115.897041
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -25.950
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -321.912072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.912072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.912072 (E_RNA)
where:
Base-Base interactions energy: -206.883
where: short stacking energy: -99.063
Base-Backbone interact. energy: -0.184
local terms energy: -114.844971
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -29.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -291.302473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.302473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.302473 (E_RNA)
where:
Base-Base interactions energy: -184.169
where: short stacking energy: -85.856
Base-Backbone interact. energy: -0.661
local terms energy: -106.472758
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -291.611856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.611856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.611856 (E_RNA)
where:
Base-Base interactions energy: -186.621
where: short stacking energy: -87.327
Base-Backbone interact. energy: -1.254
local terms energy: -103.736914
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -22.717
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -267.162685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.162685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.162685 (E_RNA)
where:
Base-Base interactions energy: -168.740
where: short stacking energy: -81.281
Base-Backbone interact. energy: 0.958
local terms energy: -99.380205
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -252.176778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176778 (E_RNA)
where:
Base-Base interactions energy: -165.784
where: short stacking energy: -70.440
Base-Backbone interact. energy: 0.784
local terms energy: -87.177033
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -15.984
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -243.990339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.990339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.990339 (E_RNA)
where:
Base-Base interactions energy: -164.495
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.540
local terms energy: -78.955124
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -14.821
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: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -212.248986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.248986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.248986 (E_RNA)
where:
Base-Base interactions energy: -131.641
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.310
local terms energy: -80.297932
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -206.444486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.444486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.444486 (E_RNA)
where:
Base-Base interactions energy: -122.215
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.025
local terms energy: -84.204296
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -21.696
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: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -166.653309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.653309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.653309 (E_RNA)
where:
Base-Base interactions energy: -95.772
where: short stacking energy: -43.708
Base-Backbone interact. energy: 1.937
local terms energy: -72.818295
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -332.957026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.957026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.957026 (E_RNA)
where:
Base-Base interactions energy: -218.117
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.346
local terms energy: -114.494003
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -326.692933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.692933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.692933 (E_RNA)
where:
Base-Base interactions energy: -211.449
where: short stacking energy: -92.488
Base-Backbone interact. energy: -0.892
local terms energy: -114.351212
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -29.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -295.386461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.386461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.386461 (E_RNA)
where:
Base-Base interactions energy: -187.258
where: short stacking energy: -87.073
Base-Backbone interact. energy: -0.601
local terms energy: -107.527700
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -12.464
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: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -287.089835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.089835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.089835 (E_RNA)
where:
Base-Base interactions energy: -180.462
where: short stacking energy: -88.887
Base-Backbone interact. energy: 0.166
local terms energy: -106.792946
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -18.217
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: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -270.664924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.664924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.664924 (E_RNA)
where:
Base-Base interactions energy: -163.880
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.091
local terms energy: -106.693608
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -244.033179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.033179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.033179 (E_RNA)
where:
Base-Base interactions energy: -153.214
where: short stacking energy: -72.884
Base-Backbone interact. energy: -0.100
local terms energy: -90.718395
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -18.767
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: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -263.477928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.477928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.477928 (E_RNA)
where:
Base-Base interactions energy: -166.888
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.721
local terms energy: -95.869383
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -239.852518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.852518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.852518 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.706
local terms energy: -86.056933
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -212.435743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435743 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.126
local terms energy: -86.177888
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -202.223698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.223698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.223698 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -55.199
Base-Backbone interact. energy: 0.078
local terms energy: -66.567887
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -5.480
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: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -332.734116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.734116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.734116 (E_RNA)
where:
Base-Base interactions energy: -227.189
where: short stacking energy: -101.963
Base-Backbone interact. energy: -0.295
local terms energy: -105.250608
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -25.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -319.324628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.324628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.324628 (E_RNA)
where:
Base-Base interactions energy: -213.660
where: short stacking energy: -92.172
Base-Backbone interact. energy: -0.905
local terms energy: -104.758980
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -23.659
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -289.022588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.022588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.022588 (E_RNA)
where:
Base-Base interactions energy: -186.134
where: short stacking energy: -90.834
Base-Backbone interact. energy: -0.278
local terms energy: -102.610705
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -12.263
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -284.544131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.544131 (E_RNA)
where:
Base-Base interactions energy: -172.864
where: short stacking energy: -87.003
Base-Backbone interact. energy: -0.092
local terms energy: -111.588273
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -26.307
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: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -272.271289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.271289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.271289 (E_RNA)
where:
Base-Base interactions energy: -168.156
where: short stacking energy: -77.190
Base-Backbone interact. energy: 1.295
local terms energy: -105.410275
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -290.217866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.217866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.217866 (E_RNA)
where:
Base-Base interactions energy: -198.181
where: short stacking energy: -81.822
Base-Backbone interact. energy: -0.309
local terms energy: -91.727510
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -207.975976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.975976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.975976 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.138
local terms energy: -81.673688
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -250.893441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.893441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.893441 (E_RNA)
where:
Base-Base interactions energy: -167.284
where: short stacking energy: -72.854
Base-Backbone interact. energy: -1.229
local terms energy: -82.380302
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.162
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: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -222.444495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.444495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.444495 (E_RNA)
where:
Base-Base interactions energy: -140.393
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.244
local terms energy: -81.807886
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -184.987398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987398 (E_RNA)
where:
Base-Base interactions energy: -107.903
where: short stacking energy: -47.994
Base-Backbone interact. energy: 0.434
local terms energy: -77.518520
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -325.278021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.278021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.278021 (E_RNA)
where:
Base-Base interactions energy: -225.408
where: short stacking energy: -102.286
Base-Backbone interact. energy: 0.628
local terms energy: -100.497585
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -292.115428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.115428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.115428 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -92.730
Base-Backbone interact. energy: 0.051
local terms energy: -102.829303
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -302.258588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.258588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.258588 (E_RNA)
where:
Base-Base interactions energy: -196.657
where: short stacking energy: -89.328
Base-Backbone interact. energy: -1.706
local terms energy: -103.894975
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -13.888
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: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -279.617744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.617744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.617744 (E_RNA)
where:
Base-Base interactions energy: -179.938
where: short stacking energy: -78.550
Base-Backbone interact. energy: -0.062
local terms energy: -99.617535
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -15.053
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: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -279.033189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.033189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.033189 (E_RNA)
where:
Base-Base interactions energy: -175.006
where: short stacking energy: -81.920
Base-Backbone interact. energy: -0.661
local terms energy: -103.365635
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -268.955346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.955346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.955346 (E_RNA)
where:
Base-Base interactions energy: -177.628
where: short stacking energy: -86.113
Base-Backbone interact. energy: -0.070
local terms energy: -91.257420
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -262.442280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.442280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.442280 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -81.473
Base-Backbone interact. energy: -0.776
local terms energy: -94.865293
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -189.438647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.438647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438647 (E_RNA)
where:
Base-Base interactions energy: -109.702
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.825
local terms energy: -78.910902
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -210.976205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.976205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.976205 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -60.126
Base-Backbone interact. energy: -1.047
local terms energy: -71.135023
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -187.241746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.241746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.241746 (E_RNA)
where:
Base-Base interactions energy: -104.831
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.458
local terms energy: -81.953424
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -320.828373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.828373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.828373 (E_RNA)
where:
Base-Base interactions energy: -213.951
where: short stacking energy: -90.255
Base-Backbone interact. energy: -0.458
local terms energy: -106.419584
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -23.038
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -303.695722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.695722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.695722 (E_RNA)
where:
Base-Base interactions energy: -204.492
where: short stacking energy: -85.149
Base-Backbone interact. energy: -1.159
local terms energy: -98.044938
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -14.541
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: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -307.467189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.467189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.467189 (E_RNA)
where:
Base-Base interactions energy: -206.559
where: short stacking energy: -99.912
Base-Backbone interact. energy: -0.383
local terms energy: -100.524933
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -16.307
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: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -287.970494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.970494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.970494 (E_RNA)
where:
Base-Base interactions energy: -181.784
where: short stacking energy: -89.346
Base-Backbone interact. energy: -0.008
local terms energy: -106.177970
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -30.179
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: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -284.154195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154195 (E_RNA)
where:
Base-Base interactions energy: -184.870
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.006
local terms energy: -99.278255
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -268.320308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.320308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.320308 (E_RNA)
where:
Base-Base interactions energy: -169.978
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.138
local terms energy: -98.203630
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -18.655
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: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -246.404097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.404097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.404097 (E_RNA)
where:
Base-Base interactions energy: -165.819
where: short stacking energy: -66.751
Base-Backbone interact. energy: 2.417
local terms energy: -83.001737
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -215.321602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321602 (E_RNA)
where:
Base-Base interactions energy: -130.589
where: short stacking energy: -62.930
Base-Backbone interact. energy: 2.241
local terms energy: -86.973470
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -203.157851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.157851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.157851 (E_RNA)
where:
Base-Base interactions energy: -123.272
where: short stacking energy: -50.567
Base-Backbone interact. energy: -0.354
local terms energy: -79.532430
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -160.904230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.904230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.904230 (E_RNA)
where:
Base-Base interactions energy: -93.996
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.610
local terms energy: -66.297804
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -329.773126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.773126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.773126 (E_RNA)
where:
Base-Base interactions energy: -217.396
where: short stacking energy: -93.906
Base-Backbone interact. energy: -1.166
local terms energy: -111.211208
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -24.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -330.109988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.109988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.109988 (E_RNA)
where:
Base-Base interactions energy: -222.952
where: short stacking energy: -88.118
Base-Backbone interact. energy: -2.410
local terms energy: -104.747834
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -25.606
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: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -282.163813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.163813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.163813 (E_RNA)
where:
Base-Base interactions energy: -184.648
where: short stacking energy: -95.453
Base-Backbone interact. energy: -0.005
local terms energy: -97.510744
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -18.106
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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -289.573123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.573123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.573123 (E_RNA)
where:
Base-Base interactions energy: -190.219
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.557
local terms energy: -98.797122
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -15.101
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: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -272.331024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.331024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.331024 (E_RNA)
where:
Base-Base interactions energy: -171.311
where: short stacking energy: -75.553
Base-Backbone interact. energy: 0.041
local terms energy: -101.061051
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -17.014
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: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -275.286865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.286865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.286865 (E_RNA)
where:
Base-Base interactions energy: -180.304
where: short stacking energy: -85.726
Base-Backbone interact. energy: -0.085
local terms energy: -94.897386
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -236.911424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.911424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.911424 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.590
local terms energy: -87.127014
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -245.969740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.969740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.969740 (E_RNA)
where:
Base-Base interactions energy: -157.775
where: short stacking energy: -73.891
Base-Backbone interact. energy: 0.528
local terms energy: -88.722857
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -212.655595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655595 (E_RNA)
where:
Base-Base interactions energy: -126.843
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.205
local terms energy: -85.607907
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -13.020
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: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -100.489724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.489724 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -30.414
Base-Backbone interact. energy: 0.147
local terms energy: -67.193298
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -328.365349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.365349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.365349 (E_RNA)
where:
Base-Base interactions energy: -219.637
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.173
local terms energy: -108.555181
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -22.230
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: 143
Temperature: 0.950000
Total energy: -319.541916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.541916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.541916 (E_RNA)
where:
Base-Base interactions energy: -214.916
where: short stacking energy: -85.419
Base-Backbone interact. energy: 0.005
local terms energy: -104.630683
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -283.011551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.011551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.011551 (E_RNA)
where:
Base-Base interactions energy: -177.134
where: short stacking energy: -88.577
Base-Backbone interact. energy: -0.133
local terms energy: -105.745118
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -280.255085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.255085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.255085 (E_RNA)
where:
Base-Base interactions energy: -174.876
where: short stacking energy: -78.685
Base-Backbone interact. energy: -0.355
local terms energy: -105.024121
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -258.880068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.880068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.880068 (E_RNA)
where:
Base-Base interactions energy: -168.658
where: short stacking energy: -70.424
Base-Backbone interact. energy: 0.574
local terms energy: -90.796602
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -271.711887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.711887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.711887 (E_RNA)
where:
Base-Base interactions energy: -184.664
where: short stacking energy: -74.460
Base-Backbone interact. energy: -0.266
local terms energy: -86.782186
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -249.748883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.748883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.748883 (E_RNA)
where:
Base-Base interactions energy: -165.833
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.296
local terms energy: -83.620035
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -258.410149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.410149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.410149 (E_RNA)
where:
Base-Base interactions energy: -168.881
where: short stacking energy: -64.845
Base-Backbone interact. energy: -1.306
local terms energy: -88.223273
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -16.349
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: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -211.220929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.220929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.220929 (E_RNA)
where:
Base-Base interactions energy: -130.460
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.128
local terms energy: -80.633071
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -12.330
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: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -121.396673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.396673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.396673 (E_RNA)
where:
Base-Base interactions energy: -49.253
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.180
local terms energy: -71.963761
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -3.124
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: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -317.393480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.393480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.393480 (E_RNA)
where:
Base-Base interactions energy: -218.477
where: short stacking energy: -93.953
Base-Backbone interact. energy: -0.165
local terms energy: -98.751908
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -335.827385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.827385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.827385 (E_RNA)
where:
Base-Base interactions energy: -221.441
where: short stacking energy: -92.114
Base-Backbone interact. energy: 0.163
local terms energy: -114.549460
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -28.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -280.529383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.529383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.529383 (E_RNA)
where:
Base-Base interactions energy: -184.716
where: short stacking energy: -87.819
Base-Backbone interact. energy: 2.876
local terms energy: -98.689552
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -15.249
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -288.569573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.569573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.569573 (E_RNA)
where:
Base-Base interactions energy: -189.828
where: short stacking energy: -89.811
Base-Backbone interact. energy: -0.338
local terms energy: -98.403652
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -304.844676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.844676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.844676 (E_RNA)
where:
Base-Base interactions energy: -198.565
where: short stacking energy: -93.918
Base-Backbone interact. energy: -0.032
local terms energy: -106.247570
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -286.225939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.225939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.225939 (E_RNA)
where:
Base-Base interactions energy: -187.205
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.151
local terms energy: -98.869492
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -26.758
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: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -259.787421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.787421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.787421 (E_RNA)
where:
Base-Base interactions energy: -159.993
where: short stacking energy: -74.729
Base-Backbone interact. energy: -0.758
local terms energy: -99.036541
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -15.667
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: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -254.292730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.292730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.292730 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -62.875
Base-Backbone interact. energy: -1.250
local terms energy: -99.797459
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -17.058
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: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -210.701364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.701364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.701364 (E_RNA)
where:
Base-Base interactions energy: -131.880
where: short stacking energy: -60.898
Base-Backbone interact. energy: 0.223
local terms energy: -79.043755
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -101.903118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.903118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.903118 (E_RNA)
where:
Base-Base interactions energy: -42.109
where: short stacking energy: -24.293
Base-Backbone interact. energy: 1.409
local terms energy: -61.202354
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: 4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -330.637110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.637110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.637110 (E_RNA)
where:
Base-Base interactions energy: -215.581
where: short stacking energy: -94.434
Base-Backbone interact. energy: -0.127
local terms energy: -114.929331
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -309.465055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.465055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.465055 (E_RNA)
where:
Base-Base interactions energy: -201.864
where: short stacking energy: -92.802
Base-Backbone interact. energy: -0.209
local terms energy: -107.391805
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -13.736
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: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -290.548487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.548487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.548487 (E_RNA)
where:
Base-Base interactions energy: -188.971
where: short stacking energy: -85.602
Base-Backbone interact. energy: -0.123
local terms energy: -101.454553
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -312.553048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.553048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.553048 (E_RNA)
where:
Base-Base interactions energy: -215.232
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.377
local terms energy: -96.944110
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -26.729
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: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -296.599494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.599494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.599494 (E_RNA)
where:
Base-Base interactions energy: -189.588
where: short stacking energy: -90.154
Base-Backbone interact. energy: -0.514
local terms energy: -106.497284
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -270.117909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.117909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.117909 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.425
local terms energy: -97.641936
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -16.402
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: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -254.232808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.232808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.232808 (E_RNA)
where:
Base-Base interactions energy: -165.421
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.324
local terms energy: -88.488414
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.050
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: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -263.890501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.890501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.890501 (E_RNA)
where:
Base-Base interactions energy: -170.278
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.447
local terms energy: -93.165902
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -217.594480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.594480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.594480 (E_RNA)
where:
Base-Base interactions energy: -139.279
where: short stacking energy: -77.875
Base-Backbone interact. energy: 0.001
local terms energy: -78.315898
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -12.286
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -118.571974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.571974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.571974 (E_RNA)
where:
Base-Base interactions energy: -50.818
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.022
local terms energy: -67.732423
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -325.020440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.020440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.020440 (E_RNA)
where:
Base-Base interactions energy: -223.949
where: short stacking energy: -103.375
Base-Backbone interact. energy: -0.014
local terms energy: -101.057542
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -330.276209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.276209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.276209 (E_RNA)
where:
Base-Base interactions energy: -215.706
where: short stacking energy: -107.124
Base-Backbone interact. energy: 1.403
local terms energy: -115.973580
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -30.522
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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -323.736841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.736841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.736841 (E_RNA)
where:
Base-Base interactions energy: -214.846
where: short stacking energy: -95.454
Base-Backbone interact. energy: -0.234
local terms energy: -108.656183
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -294.250823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.250823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.250823 (E_RNA)
where:
Base-Base interactions energy: -192.269
where: short stacking energy: -91.791
Base-Backbone interact. energy: 0.766
local terms energy: -102.747040
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -270.112035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.112035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.112035 (E_RNA)
where:
Base-Base interactions energy: -172.038
where: short stacking energy: -78.742
Base-Backbone interact. energy: -0.101
local terms energy: -97.973504
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -262.329769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.329769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.329769 (E_RNA)
where:
Base-Base interactions energy: -170.687
where: short stacking energy: -82.376
Base-Backbone interact. energy: -0.102
local terms energy: -91.540423
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -253.601829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.601829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.601829 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.204
local terms energy: -94.364453
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.924
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -221.828850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.828850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.828850 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.158
local terms energy: -88.039680
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -227.539499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.539499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.539499 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -72.925
Base-Backbone interact. energy: -0.164
local terms energy: -80.740625
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -16.185
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: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -108.885297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.885297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.885297 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.742
local terms energy: -59.491137
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: 2.023
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: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -341.604230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.604230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.604230 (E_RNA)
where:
Base-Base interactions energy: -226.688
where: short stacking energy: -105.974
Base-Backbone interact. energy: -0.201
local terms energy: -114.714470
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -26.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -321.014041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.014041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.014041 (E_RNA)
where:
Base-Base interactions energy: -218.555
where: short stacking energy: -92.624
Base-Backbone interact. energy: -0.825
local terms energy: -101.634131
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -318.542992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.542992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.542992 (E_RNA)
where:
Base-Base interactions energy: -222.281
where: short stacking energy: -82.877
Base-Backbone interact. energy: 0.777
local terms energy: -97.039023
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -274.261234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.261234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.261234 (E_RNA)
where:
Base-Base interactions energy: -168.041
where: short stacking energy: -77.764
Base-Backbone interact. energy: -0.850
local terms energy: -105.370733
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -15.842
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: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -289.575835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.575835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.575835 (E_RNA)
where:
Base-Base interactions energy: -202.713
where: short stacking energy: -84.113
Base-Backbone interact. energy: -0.233
local terms energy: -86.630003
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -255.181601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.181601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.181601 (E_RNA)
where:
Base-Base interactions energy: -161.296
where: short stacking energy: -77.935
Base-Backbone interact. energy: -0.197
local terms energy: -93.689176
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -14.420
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: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -245.136931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.136931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.136931 (E_RNA)
where:
Base-Base interactions energy: -169.522
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.750
local terms energy: -74.864440
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -2.230
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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -257.307685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.307685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.307685 (E_RNA)
where:
Base-Base interactions energy: -167.351
where: short stacking energy: -78.351
Base-Backbone interact. energy: -1.043
local terms energy: -88.913795
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -15.146
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -220.302887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.302887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.302887 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -75.619
Base-Backbone interact. energy: 4.022
local terms energy: -84.626678
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -105.873815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873815 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -38.414
Base-Backbone interact. energy: 0.247
local terms energy: -62.166623
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -352.899033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.899033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.899033 (E_RNA)
where:
Base-Base interactions energy: -245.814
where: short stacking energy: -96.451
Base-Backbone interact. energy: -0.133
local terms energy: -106.951932
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -340.614267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.614267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.614267 (E_RNA)
where:
Base-Base interactions energy: -224.850
where: short stacking energy: -101.815
Base-Backbone interact. energy: -0.307
local terms energy: -115.457241
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -29.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -314.777386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.777386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.777386 (E_RNA)
where:
Base-Base interactions energy: -217.580
where: short stacking energy: -101.798
Base-Backbone interact. energy: -0.683
local terms energy: -96.514325
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -10.864
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -283.387443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.387443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.387443 (E_RNA)
where:
Base-Base interactions energy: -179.527
where: short stacking energy: -91.115
Base-Backbone interact. energy: -0.162
local terms energy: -103.698554
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -297.399356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.399356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.399356 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.664
local terms energy: -98.060164
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -273.254097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.254097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.254097 (E_RNA)
where:
Base-Base interactions energy: -174.897
where: short stacking energy: -81.382
Base-Backbone interact. energy: -0.542
local terms energy: -97.815130
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -22.310
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: 148
Temperature: 1.200000
Total energy: -250.788222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.788222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.788222 (E_RNA)
where:
Base-Base interactions energy: -170.314
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.465
local terms energy: -80.009421
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -214.660078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.660078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.660078 (E_RNA)
where:
Base-Base interactions energy: -136.414
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.714
local terms energy: -77.532022
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -131.842013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.842013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.842013 (E_RNA)
where:
Base-Base interactions energy: -58.761
where: short stacking energy: -42.143
Base-Backbone interact. energy: 0.789
local terms energy: -73.870291
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -191.679073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.679073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.679073 (E_RNA)
where:
Base-Base interactions energy: -108.221
where: short stacking energy: -52.587
Base-Backbone interact. energy: -1.180
local terms energy: -82.278374
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -346.925687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.925687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.925687 (E_RNA)
where:
Base-Base interactions energy: -237.936
where: short stacking energy: -100.135
Base-Backbone interact. energy: -1.041
local terms energy: -107.948965
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -27.919
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: 149
Temperature: 0.950000
Total energy: -330.068807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.068807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.068807 (E_RNA)
where:
Base-Base interactions energy: -221.573
where: short stacking energy: -101.504
Base-Backbone interact. energy: -0.023
local terms energy: -108.472987
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -24.717
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -28.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -317.746100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.746100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.746100 (E_RNA)
where:
Base-Base interactions energy: -214.726
where: short stacking energy: -92.374
Base-Backbone interact. energy: 0.084
local terms energy: -103.104696
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -304.769594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.769594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.769594 (E_RNA)
where:
Base-Base interactions energy: -206.778
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.751
local terms energy: -97.240766
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -22.252
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: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -277.973670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.973670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.973670 (E_RNA)
where:
Base-Base interactions energy: -173.878
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.073
local terms energy: -104.022647
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -17.345
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: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -270.314926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.314926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.314926 (E_RNA)
where:
Base-Base interactions energy: -168.376
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.038
local terms energy: -101.900644
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -255.829000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.829000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.829000 (E_RNA)
where:
Base-Base interactions energy: -178.296
where: short stacking energy: -73.041
Base-Backbone interact. energy: 2.415
local terms energy: -79.948242
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -215.767948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.767948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.767948 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -60.754
Base-Backbone interact. energy: 1.012
local terms energy: -92.298542
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -111.910314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.910314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.910314 (E_RNA)
where:
Base-Base interactions energy: -43.438
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.293
local terms energy: -68.179044
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -171.843100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.843100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.843100 (E_RNA)
where:
Base-Base interactions energy: -112.606
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.682
local terms energy: -58.555328
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -321.727480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.727480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.727480 (E_RNA)
where:
Base-Base interactions energy: -207.777
where: short stacking energy: -97.691
Base-Backbone interact. energy: -0.300
local terms energy: -113.649909
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -338.381939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.381939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.381939 (E_RNA)
where:
Base-Base interactions energy: -226.660
where: short stacking energy: -99.982
Base-Backbone interact. energy: -0.911
local terms energy: -110.811252
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -308.518444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.518444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.518444 (E_RNA)
where:
Base-Base interactions energy: -202.773
where: short stacking energy: -90.654
Base-Backbone interact. energy: -0.165
local terms energy: -105.580061
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -281.299915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.299915 (E_RNA)
where:
Base-Base interactions energy: -198.136
where: short stacking energy: -78.771
Base-Backbone interact. energy: -0.511
local terms energy: -82.653504
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -13.144
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: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -283.686279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.686279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.686279 (E_RNA)
where:
Base-Base interactions energy: -184.457
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.606
local terms energy: -98.624003
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -24.774
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: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -281.825409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.825409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.825409 (E_RNA)
where:
Base-Base interactions energy: -175.990
where: short stacking energy: -83.790
Base-Backbone interact. energy: -0.315
local terms energy: -105.521004
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -253.451169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.451169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.451169 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.068
local terms energy: -93.480128
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -217.357804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.357804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.357804 (E_RNA)
where:
Base-Base interactions energy: -124.338
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.516
local terms energy: -92.503954
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -7.461
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: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -226.663517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.663517 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.384
local terms energy: -96.736031
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -112.408170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.408170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.408170 (E_RNA)
where:
Base-Base interactions energy: -42.336
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.459
local terms energy: -69.613734
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -332.049455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.049455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.049455 (E_RNA)
where:
Base-Base interactions energy: -221.884
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.096
local terms energy: -110.069278
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -16.825
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: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -313.261409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.261409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.261409 (E_RNA)
where:
Base-Base interactions energy: -217.125
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.414
local terms energy: -95.722829
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -334.097161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.097161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.097161 (E_RNA)
where:
Base-Base interactions energy: -226.296
where: short stacking energy: -98.372
Base-Backbone interact. energy: -0.915
local terms energy: -106.886553
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -284.044243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.044243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.044243 (E_RNA)
where:
Base-Base interactions energy: -181.527
where: short stacking energy: -96.396
Base-Backbone interact. energy: -0.689
local terms energy: -101.828324
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -273.908303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908303 (E_RNA)
where:
Base-Base interactions energy: -170.673
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.195
local terms energy: -103.040364
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -261.629879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.629879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.629879 (E_RNA)
where:
Base-Base interactions energy: -155.590
where: short stacking energy: -76.822
Base-Backbone interact. energy: -0.890
local terms energy: -105.149394
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -256.772541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.772541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.772541 (E_RNA)
where:
Base-Base interactions energy: -166.165
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.355
local terms energy: -90.251995
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -14.088
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: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -223.232641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.232641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.232641 (E_RNA)
where:
Base-Base interactions energy: -144.974
where: short stacking energy: -65.718
Base-Backbone interact. energy: -0.611
local terms energy: -77.647945
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -7.101
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: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -242.582188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.582188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.582188 (E_RNA)
where:
Base-Base interactions energy: -149.488
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.154
local terms energy: -92.939335
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -114.878455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.878455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.878455 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -33.914
Base-Backbone interact. energy: 3.405
local terms energy: -80.721805
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -320.284001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.284001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.284001 (E_RNA)
where:
Base-Base interactions energy: -204.656
where: short stacking energy: -90.599
Base-Backbone interact. energy: 0.133
local terms energy: -115.761234
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -26.132
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: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -333.429096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.429096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.429096 (E_RNA)
where:
Base-Base interactions energy: -222.145
where: short stacking energy: -88.696
Base-Backbone interact. energy: -0.170
local terms energy: -111.114294
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -15.812
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: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -345.392418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.392418 (E_RNA)
where:
Base-Base interactions energy: -232.567
where: short stacking energy: -105.111
Base-Backbone interact. energy: -0.501
local terms energy: -112.324608
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -13.242
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: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -290.898579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.898579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.898579 (E_RNA)
where:
Base-Base interactions energy: -185.740
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.157
local terms energy: -105.001762
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -24.171
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: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -273.037409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.037409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.037409 (E_RNA)
where:
Base-Base interactions energy: -174.532
where: short stacking energy: -78.857
Base-Backbone interact. energy: 0.603
local terms energy: -99.108091
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -16.185
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: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -249.705010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.705010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.705010 (E_RNA)
where:
Base-Base interactions energy: -163.943
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.543
local terms energy: -85.218534
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -259.917496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.917496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.917496 (E_RNA)
where:
Base-Base interactions energy: -170.052
where: short stacking energy: -69.235
Base-Backbone interact. energy: 0.238
local terms energy: -90.103273
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -219.253999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.253999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.253999 (E_RNA)
where:
Base-Base interactions energy: -128.250
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.159
local terms energy: -90.845345
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -227.127389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.127389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.127389 (E_RNA)
where:
Base-Base interactions energy: -155.543
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.412
local terms energy: -71.172421
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -118.431782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.431782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.431782 (E_RNA)
where:
Base-Base interactions energy: -51.993
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.030
local terms energy: -66.408788
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -321.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.635397 (E_RNA)
where:
Base-Base interactions energy: -214.394
where: short stacking energy: -98.008
Base-Backbone interact. energy: -0.426
local terms energy: -106.815655
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -24.421
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -334.771047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.771047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.771047 (E_RNA)
where:
Base-Base interactions energy: -228.445
where: short stacking energy: -97.105
Base-Backbone interact. energy: -0.593
local terms energy: -105.733070
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -319.033825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.033825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.033825 (E_RNA)
where:
Base-Base interactions energy: -216.475
where: short stacking energy: -88.322
Base-Backbone interact. energy: -0.347
local terms energy: -102.211800
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -279.462732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.462732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.462732 (E_RNA)
where:
Base-Base interactions energy: -180.501
where: short stacking energy: -74.687
Base-Backbone interact. energy: -0.198
local terms energy: -98.763755
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -18.115
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: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -283.356663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.356663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.356663 (E_RNA)
where:
Base-Base interactions energy: -189.736
where: short stacking energy: -99.057
Base-Backbone interact. energy: -0.229
local terms energy: -93.392055
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -270.257241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.257241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.257241 (E_RNA)
where:
Base-Base interactions energy: -171.118
where: short stacking energy: -73.683
Base-Backbone interact. energy: -0.270
local terms energy: -98.869475
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -17.837
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: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -254.211830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.211830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.211830 (E_RNA)
where:
Base-Base interactions energy: -164.038
where: short stacking energy: -78.530
Base-Backbone interact. energy: 0.422
local terms energy: -90.595665
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -19.478
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: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -240.094127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.094127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.094127 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.083
local terms energy: -80.366733
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -10.705
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: 153
Temperature: 1.300000
Total energy: -189.693937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.693937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.693937 (E_RNA)
where:
Base-Base interactions energy: -115.989
where: short stacking energy: -56.205
Base-Backbone interact. energy: -1.163
local terms energy: -72.541624
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -125.447712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.447712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.447712 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -37.840
Base-Backbone interact. energy: -1.896
local terms energy: -67.080892
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -340.293898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.293898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.293898 (E_RNA)
where:
Base-Base interactions energy: -225.792
where: short stacking energy: -98.692
Base-Backbone interact. energy: -1.072
local terms energy: -113.429539
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -21.418
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: 154
Temperature: 0.950000
Total energy: -305.906922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.906922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.906922 (E_RNA)
where:
Base-Base interactions energy: -215.707
where: short stacking energy: -90.815
Base-Backbone interact. energy: -1.475
local terms energy: -88.724527
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -22.124
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: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -327.380009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.380009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.380009 (E_RNA)
where:
Base-Base interactions energy: -214.779
where: short stacking energy: -99.757
Base-Backbone interact. energy: -2.197
local terms energy: -110.403532
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -277.241583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.241583 (E_RNA)
where:
Base-Base interactions energy: -173.320
where: short stacking energy: -86.587
Base-Backbone interact. energy: -0.551
local terms energy: -103.371077
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -10.561
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -271.732285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.732285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.732285 (E_RNA)
where:
Base-Base interactions energy: -165.644
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.435
local terms energy: -105.653327
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -260.545811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.545811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.545811 (E_RNA)
where:
Base-Base interactions energy: -158.213
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.282
local terms energy: -102.050381
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -18.832
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: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -251.161324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.161324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.161324 (E_RNA)
where:
Base-Base interactions energy: -158.792
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.344
local terms energy: -92.025138
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -17.859
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: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -253.037584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.037584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.037584 (E_RNA)
where:
Base-Base interactions energy: -164.979
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.325
local terms energy: -87.733580
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -15.888
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: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -211.348261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.348261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.348261 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -64.354
Base-Backbone interact. energy: 0.302
local terms energy: -75.799479
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -121.260652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.260652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.260652 (E_RNA)
where:
Base-Base interactions energy: -47.316
where: short stacking energy: -44.286
Base-Backbone interact. energy: 0.854
local terms energy: -74.798969
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -343.728797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.728797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.728797 (E_RNA)
where:
Base-Base interactions energy: -224.738
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.093
local terms energy: -118.897451
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -26.918
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: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -340.847822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.847822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.847822 (E_RNA)
where:
Base-Base interactions energy: -225.287
where: short stacking energy: -107.148
Base-Backbone interact. energy: -0.279
local terms energy: -115.281797
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -294.197133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.197133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.197133 (E_RNA)
where:
Base-Base interactions energy: -193.554
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.096
local terms energy: -100.546743
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -282.870198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.870198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.870198 (E_RNA)
where:
Base-Base interactions energy: -179.023
where: short stacking energy: -96.543
Base-Backbone interact. energy: -0.204
local terms energy: -103.642859
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -20.196
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: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -271.602780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.602780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.602780 (E_RNA)
where:
Base-Base interactions energy: -176.783
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.125
local terms energy: -94.695609
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -274.199004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.199004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.199004 (E_RNA)
where:
Base-Base interactions energy: -173.889
where: short stacking energy: -87.294
Base-Backbone interact. energy: 0.288
local terms energy: -100.598201
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -249.147549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.147549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.147549 (E_RNA)
where:
Base-Base interactions energy: -150.423
where: short stacking energy: -69.680
Base-Backbone interact. energy: -0.295
local terms energy: -98.429149
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -244.761913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.761913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.761913 (E_RNA)
where:
Base-Base interactions energy: -154.289
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.201
local terms energy: -90.271930
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -14.405
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: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -202.322707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.322707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.322707 (E_RNA)
where:
Base-Base interactions energy: -112.299
where: short stacking energy: -49.393
Base-Backbone interact. energy: 0.181
local terms energy: -90.204892
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -117.906532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.906532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.906532 (E_RNA)
where:
Base-Base interactions energy: -57.169
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.296
local terms energy: -60.441392
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: 2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -339.795251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.795251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.795251 (E_RNA)
where:
Base-Base interactions energy: -229.212
where: short stacking energy: -112.373
Base-Backbone interact. energy: -0.419
local terms energy: -110.164849
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -313.301711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.301711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.301711 (E_RNA)
where:
Base-Base interactions energy: -212.046
where: short stacking energy: -81.417
Base-Backbone interact. energy: -0.173
local terms energy: -101.082156
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -16.811
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: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -300.629715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.629715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.629715 (E_RNA)
where:
Base-Base interactions energy: -189.863
where: short stacking energy: -92.019
Base-Backbone interact. energy: 0.418
local terms energy: -111.183975
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -285.387093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.387093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.387093 (E_RNA)
where:
Base-Base interactions energy: -177.755
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.167
local terms energy: -107.465641
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -281.422537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.422537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.422537 (E_RNA)
where:
Base-Base interactions energy: -178.584
where: short stacking energy: -74.040
Base-Backbone interact. energy: -0.052
local terms energy: -102.786638
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -22.485
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: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -262.140116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140116 (E_RNA)
where:
Base-Base interactions energy: -177.245
where: short stacking energy: -78.989
Base-Backbone interact. energy: -0.062
local terms energy: -84.832265
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.031
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: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -258.885740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.885740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.885740 (E_RNA)
where:
Base-Base interactions energy: -165.906
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.260
local terms energy: -92.719438
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -18.732
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: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -230.930421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930421 (E_RNA)
where:
Base-Base interactions energy: -154.644
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.341
local terms energy: -75.945403
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -12.387
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: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -204.452299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452299 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.275
local terms energy: -73.230989
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -114.414114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.414114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.414114 (E_RNA)
where:
Base-Base interactions energy: -58.981
where: short stacking energy: -27.262
Base-Backbone interact. energy: -0.611
local terms energy: -54.822546
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: 3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -334.859866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.859866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.859866 (E_RNA)
where:
Base-Base interactions energy: -220.821
where: short stacking energy: -100.108
Base-Backbone interact. energy: -0.178
local terms energy: -113.861636
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -16.941
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: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -333.020240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.020240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.020240 (E_RNA)
where:
Base-Base interactions energy: -228.137
where: short stacking energy: -97.941
Base-Backbone interact. energy: -1.234
local terms energy: -103.648633
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -295.675633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.675633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.675633 (E_RNA)
where:
Base-Base interactions energy: -189.502
where: short stacking energy: -86.893
Base-Backbone interact. energy: -1.248
local terms energy: -104.925587
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -291.066107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.066107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.066107 (E_RNA)
where:
Base-Base interactions energy: -193.830
where: short stacking energy: -101.604
Base-Backbone interact. energy: -1.432
local terms energy: -95.804150
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -27.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -265.623879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.623879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.623879 (E_RNA)
where:
Base-Base interactions energy: -163.022
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.729
local terms energy: -101.873514
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -251.892872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.892872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.892872 (E_RNA)
where:
Base-Base interactions energy: -160.005
where: short stacking energy: -75.104
Base-Backbone interact. energy: -1.651
local terms energy: -90.237205
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -249.397480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.397480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.397480 (E_RNA)
where:
Base-Base interactions energy: -155.968
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.829
local terms energy: -92.600099
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -13.834
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: 157
Temperature: 1.250000
Total energy: -220.270743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.270743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.270743 (E_RNA)
where:
Base-Base interactions energy: -138.482
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.548
local terms energy: -81.241427
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -10.335
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: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -236.558386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.558386 (E_RNA)
where:
Base-Base interactions energy: -153.690
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.856
local terms energy: -82.012422
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -9.326
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -104.206292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.206292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.206292 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.313
local terms energy: -69.078038
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -0.233
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -346.973600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.973600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.973600 (E_RNA)
where:
Base-Base interactions energy: -232.969
where: short stacking energy: -98.778
Base-Backbone interact. energy: -0.913
local terms energy: -113.091631
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -325.370584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.370584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.370584 (E_RNA)
where:
Base-Base interactions energy: -220.104
where: short stacking energy: -90.762
Base-Backbone interact. energy: 0.036
local terms energy: -105.302433
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -296.553620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.553620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.553620 (E_RNA)
where:
Base-Base interactions energy: -189.335
where: short stacking energy: -96.148
Base-Backbone interact. energy: 0.015
local terms energy: -107.233911
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -282.299428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.299428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.299428 (E_RNA)
where:
Base-Base interactions energy: -178.775
where: short stacking energy: -82.317
Base-Backbone interact. energy: -0.208
local terms energy: -103.316175
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -21.676
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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -272.452320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.452320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.452320 (E_RNA)
where:
Base-Base interactions energy: -175.448
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.746
local terms energy: -96.258659
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -15.481
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -277.310408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.310408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.310408 (E_RNA)
where:
Base-Base interactions energy: -165.252
where: short stacking energy: -84.772
Base-Backbone interact. energy: -0.402
local terms energy: -111.656370
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -234.875391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.875391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.875391 (E_RNA)
where:
Base-Base interactions energy: -133.625
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.113
local terms energy: -101.137315
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -222.813193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.813193 (E_RNA)
where:
Base-Base interactions energy: -140.127
where: short stacking energy: -73.778
Base-Backbone interact. energy: -0.731
local terms energy: -81.954814
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -11.182
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: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -221.816408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.816408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.816408 (E_RNA)
where:
Base-Base interactions energy: -141.076
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.270
local terms energy: -80.470383
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -102.672917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.672917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.672917 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -23.780
Base-Backbone interact. energy: -0.375
local terms energy: -62.668018
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -331.921189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.921189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.921189 (E_RNA)
where:
Base-Base interactions energy: -218.992
where: short stacking energy: -94.486
Base-Backbone interact. energy: -0.173
local terms energy: -112.756026
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -26.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -324.059596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.059596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.059596 (E_RNA)
where:
Base-Base interactions energy: -209.335
where: short stacking energy: -93.003
Base-Backbone interact. energy: -0.043
local terms energy: -114.681762
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -23.958
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: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -290.279723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.279723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.279723 (E_RNA)
where:
Base-Base interactions energy: -183.425
where: short stacking energy: -84.670
Base-Backbone interact. energy: -0.258
local terms energy: -106.596296
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -282.510646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.510646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.510646 (E_RNA)
where:
Base-Base interactions energy: -177.964
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.347
local terms energy: -104.199458
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -268.892914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.892914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.892914 (E_RNA)
where:
Base-Base interactions energy: -171.595
where: short stacking energy: -81.171
Base-Backbone interact. energy: -0.567
local terms energy: -96.731180
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -279.379883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.379883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.379883 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.003
local terms energy: -90.854239
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -252.645619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.645619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.645619 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -68.095
Base-Backbone interact. energy: 0.032
local terms energy: -94.771382
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -197.032490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.032490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.032490 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.188
local terms energy: -86.794443
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -196.146560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.146560 (E_RNA)
where:
Base-Base interactions energy: -118.884
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.327
local terms energy: -76.935427
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -107.033234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.033234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.033234 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.143
local terms energy: -65.798214
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -340.983096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.983096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.983096 (E_RNA)
where:
Base-Base interactions energy: -220.940
where: short stacking energy: -101.573
Base-Backbone interact. energy: 0.375
local terms energy: -120.417413
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -339.267424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.267424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.267424 (E_RNA)
where:
Base-Base interactions energy: -221.074
where: short stacking energy: -101.458
Base-Backbone interact. energy: -0.276
local terms energy: -117.917872
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -311.103424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.103424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.103424 (E_RNA)
where:
Base-Base interactions energy: -199.465
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.278
local terms energy: -111.360264
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -297.899385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.899385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.899385 (E_RNA)
where:
Base-Base interactions energy: -198.525
where: short stacking energy: -94.755
Base-Backbone interact. energy: 0.206
local terms energy: -99.579753
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -269.522903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.522903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.522903 (E_RNA)
where:
Base-Base interactions energy: -169.263
where: short stacking energy: -88.049
Base-Backbone interact. energy: 2.052
local terms energy: -102.312328
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -22.978
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -258.922510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.922510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.922510 (E_RNA)
where:
Base-Base interactions energy: -184.705
where: short stacking energy: -77.023
Base-Backbone interact. energy: -0.329
local terms energy: -73.888374
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -17.694
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -249.906365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.906365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.906365 (E_RNA)
where:
Base-Base interactions energy: -158.178
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.075
local terms energy: -91.653259
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -216.365934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.365934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.365934 (E_RNA)
where:
Base-Base interactions energy: -138.977
where: short stacking energy: -53.140
Base-Backbone interact. energy: -0.098
local terms energy: -77.291089
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -8.945
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: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -194.734699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.734699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.734699 (E_RNA)
where:
Base-Base interactions energy: -110.652
where: short stacking energy: -44.708
Base-Backbone interact. energy: 0.557
local terms energy: -84.640384
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -110.825882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.825882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.825882 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.674
local terms energy: -76.765465
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -337.646480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.646480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.646480 (E_RNA)
where:
Base-Base interactions energy: -226.625
where: short stacking energy: -103.166
Base-Backbone interact. energy: 1.111
local terms energy: -112.132169
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -314.892978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.892978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.892978 (E_RNA)
where:
Base-Base interactions energy: -201.942
where: short stacking energy: -87.839
Base-Backbone interact. energy: -0.122
local terms energy: -112.829535
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -27.271
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: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -323.304930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.304930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.304930 (E_RNA)
where:
Base-Base interactions energy: -222.330
where: short stacking energy: -87.602
Base-Backbone interact. energy: -0.541
local terms energy: -100.434681
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -294.174683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.174683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.174683 (E_RNA)
where:
Base-Base interactions energy: -195.431
where: short stacking energy: -91.375
Base-Backbone interact. energy: -0.186
local terms energy: -98.558213
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -280.272033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.272033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.272033 (E_RNA)
where:
Base-Base interactions energy: -179.340
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.387
local terms energy: -100.544760
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -12.421
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -248.590498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.590498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.590498 (E_RNA)
where:
Base-Base interactions energy: -162.656
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.225
local terms energy: -85.709078
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -252.593868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.593868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.593868 (E_RNA)
where:
Base-Base interactions energy: -159.630
where: short stacking energy: -75.844
Base-Backbone interact. energy: -0.567
local terms energy: -92.396220
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -255.441420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.441420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.441420 (E_RNA)
where:
Base-Base interactions energy: -158.465
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.636
local terms energy: -96.339948
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -211.840377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.840377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.840377 (E_RNA)
where:
Base-Base interactions energy: -125.239
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.062
local terms energy: -86.539391
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -117.285712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.285712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.285712 (E_RNA)
where:
Base-Base interactions energy: -43.553
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.491
local terms energy: -73.240913
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -324.140776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.140776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.140776 (E_RNA)
where:
Base-Base interactions energy: -218.922
where: short stacking energy: -91.656
Base-Backbone interact. energy: 0.349
local terms energy: -105.567566
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -312.200287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.200287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.200287 (E_RNA)
where:
Base-Base interactions energy: -198.853
where: short stacking energy: -99.375
Base-Backbone interact. energy: -0.224
local terms energy: -113.123381
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -19.805
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: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -331.645014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.645014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.645014 (E_RNA)
where:
Base-Base interactions energy: -228.125
where: short stacking energy: -97.319
Base-Backbone interact. energy: 0.119
local terms energy: -103.638448
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -28.111
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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -281.267516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.267516 (E_RNA)
where:
Base-Base interactions energy: -182.129
where: short stacking energy: -86.951
Base-Backbone interact. energy: 0.176
local terms energy: -99.315129
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -290.092104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.092104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.092104 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.012
local terms energy: -119.873038
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -28.221
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: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -263.400160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.400160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.400160 (E_RNA)
where:
Base-Base interactions energy: -167.215
where: short stacking energy: -78.683
Base-Backbone interact. energy: 1.459
local terms energy: -97.643621
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -243.445397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.445397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.445397 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -65.036
Base-Backbone interact. energy: 0.125
local terms energy: -77.164738
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -245.679136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.679136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.679136 (E_RNA)
where:
Base-Base interactions energy: -156.428
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.249
local terms energy: -89.002403
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -209.491402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.491402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.491402 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.012
local terms energy: -72.353149
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.086
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: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -109.536906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.536906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.536906 (E_RNA)
where:
Base-Base interactions energy: -38.339
where: short stacking energy: -38.739
Base-Backbone interact. energy: -0.260
local terms energy: -70.937987
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -322.256819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.256819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.256819 (E_RNA)
where:
Base-Base interactions energy: -207.231
where: short stacking energy: -90.086
Base-Backbone interact. energy: -0.107
local terms energy: -114.918775
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -341.437700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.437700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.437700 (E_RNA)
where:
Base-Base interactions energy: -230.174
where: short stacking energy: -94.824
Base-Backbone interact. energy: -0.382
local terms energy: -110.881782
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -24.250
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: 163
Temperature: 1.000000
Total energy: -288.959048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.959048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.959048 (E_RNA)
where:
Base-Base interactions energy: -187.883
where: short stacking energy: -90.461
Base-Backbone interact. energy: -0.071
local terms energy: -101.005362
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -289.183146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.183146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.183146 (E_RNA)
where:
Base-Base interactions energy: -182.758
where: short stacking energy: -93.729
Base-Backbone interact. energy: -0.018
local terms energy: -106.407001
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -22.446
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: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -275.985578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.985578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.985578 (E_RNA)
where:
Base-Base interactions energy: -186.028
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.759
local terms energy: -89.198552
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -9.547
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: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -267.940561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.940561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.940561 (E_RNA)
where:
Base-Base interactions energy: -167.889
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.116
local terms energy: -99.936393
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -17.978
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: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -246.727652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.727652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.727652 (E_RNA)
where:
Base-Base interactions energy: -164.367
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.673
local terms energy: -81.687451
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -256.651708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.651708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.651708 (E_RNA)
where:
Base-Base interactions energy: -160.270
where: short stacking energy: -74.402
Base-Backbone interact. energy: -0.150
local terms energy: -96.231556
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -15.815
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: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -218.325285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.325285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.325285 (E_RNA)
where:
Base-Base interactions energy: -125.881
where: short stacking energy: -59.462
Base-Backbone interact. energy: -1.104
local terms energy: -91.339832
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -121.117593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.117593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.117593 (E_RNA)
where:
Base-Base interactions energy: -47.541
where: short stacking energy: -45.547
Base-Backbone interact. energy: 1.137
local terms energy: -74.713588
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -338.708219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.708219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.708219 (E_RNA)
where:
Base-Base interactions energy: -228.865
where: short stacking energy: -95.384
Base-Backbone interact. energy: -1.294
local terms energy: -108.549592
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -19.999
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: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -312.712974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.712974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.712974 (E_RNA)
where:
Base-Base interactions energy: -211.848
where: short stacking energy: -90.092
Base-Backbone interact. energy: 2.276
local terms energy: -103.141487
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -13.668
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: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -297.852398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.852398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.852398 (E_RNA)
where:
Base-Base interactions energy: -194.382
where: short stacking energy: -93.575
Base-Backbone interact. energy: -0.097
local terms energy: -103.373076
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -18.950
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: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -273.182782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.182782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.182782 (E_RNA)
where:
Base-Base interactions energy: -183.807
where: short stacking energy: -79.930
Base-Backbone interact. energy: -0.630
local terms energy: -88.746114
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -290.647647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.647647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.647647 (E_RNA)
where:
Base-Base interactions energy: -193.934
where: short stacking energy: -80.331
Base-Backbone interact. energy: -1.304
local terms energy: -95.409221
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -17.074
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: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -268.124884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.124884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.124884 (E_RNA)
where:
Base-Base interactions energy: -180.468
where: short stacking energy: -82.889
Base-Backbone interact. energy: -0.316
local terms energy: -87.340667
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -21.597
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: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -256.109253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.109253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.109253 (E_RNA)
where:
Base-Base interactions energy: -178.621
where: short stacking energy: -78.665
Base-Backbone interact. energy: -0.344
local terms energy: -77.144090
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -197.675042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.675042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.675042 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -64.875
Base-Backbone interact. energy: -0.256
local terms energy: -68.731757
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -201.750096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.750096 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.759
local terms energy: -83.378426
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -121.317489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.317489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.317489 (E_RNA)
where:
Base-Base interactions energy: -44.790
where: short stacking energy: -26.066
Base-Backbone interact. energy: -1.521
local terms energy: -75.006428
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -353.130139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.130139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.130139 (E_RNA)
where:
Base-Base interactions energy: -238.092
where: short stacking energy: -107.249
Base-Backbone interact. energy: -0.274
local terms energy: -114.763625
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -314.149514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.149514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.149514 (E_RNA)
where:
Base-Base interactions energy: -213.469
where: short stacking energy: -79.781
Base-Backbone interact. energy: 0.694
local terms energy: -101.374213
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -308.398895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.398895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.398895 (E_RNA)
where:
Base-Base interactions energy: -196.041
where: short stacking energy: -89.603
Base-Backbone interact. energy: -0.181
local terms energy: -112.176971
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -24.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -310.296547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.296547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.296547 (E_RNA)
where:
Base-Base interactions energy: -200.888
where: short stacking energy: -79.919
Base-Backbone interact. energy: -1.115
local terms energy: -108.293303
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -267.923960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.923960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.923960 (E_RNA)
where:
Base-Base interactions energy: -172.624
where: short stacking energy: -73.020
Base-Backbone interact. energy: -0.123
local terms energy: -95.176873
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -15.327
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: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -264.341270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.341270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.341270 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -81.711
Base-Backbone interact. energy: -0.666
local terms energy: -96.208422
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -18.218
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -266.806258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.806258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.806258 (E_RNA)
where:
Base-Base interactions energy: -167.700
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.089
local terms energy: -99.017209
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -225.463874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.463874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.463874 (E_RNA)
where:
Base-Base interactions energy: -147.300
where: short stacking energy: -50.835
Base-Backbone interact. energy: -2.269
local terms energy: -75.894101
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -15.007
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: 165
Temperature: 1.300000
Total energy: -220.779614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.779614 (E_RNA)
where:
Base-Base interactions energy: -135.101
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.964
local terms energy: -84.714572
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -108.387395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.387395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.387395 (E_RNA)
where:
Base-Base interactions energy: -35.363
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.652
local terms energy: -72.372399
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -361.978105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.978105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.978105 (E_RNA)
where:
Base-Base interactions energy: -256.725
where: short stacking energy: -109.577
Base-Backbone interact. energy: -0.062
local terms energy: -105.190787
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -13.642
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: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -317.732457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.732457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.732457 (E_RNA)
where:
Base-Base interactions energy: -214.626
where: short stacking energy: -92.199
Base-Backbone interact. energy: 1.532
local terms energy: -104.639054
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -15.655
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: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -299.512793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.512793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.512793 (E_RNA)
where:
Base-Base interactions energy: -195.409
where: short stacking energy: -84.288
Base-Backbone interact. energy: -0.554
local terms energy: -103.549937
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -312.730416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.730416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.730416 (E_RNA)
where:
Base-Base interactions energy: -198.371
where: short stacking energy: -98.437
Base-Backbone interact. energy: -0.347
local terms energy: -114.012696
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -269.568965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.568965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.568965 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -73.448
Base-Backbone interact. energy: 0.124
local terms energy: -104.878720
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -273.467133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.467133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.467133 (E_RNA)
where:
Base-Base interactions energy: -176.127
where: short stacking energy: -81.792
Base-Backbone interact. energy: 0.538
local terms energy: -97.878403
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -219.856231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.856231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.856231 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -59.160
Base-Backbone interact. energy: 0.433
local terms energy: -69.144442
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -233.946898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.946898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.946898 (E_RNA)
where:
Base-Base interactions energy: -148.107
where: short stacking energy: -60.545
Base-Backbone interact. energy: 0.655
local terms energy: -86.495654
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -17.245
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: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -258.373796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.373796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.373796 (E_RNA)
where:
Base-Base interactions energy: -164.418
where: short stacking energy: -77.706
Base-Backbone interact. energy: -0.193
local terms energy: -93.762983
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -11.537
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: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -110.770855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.770855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.770855 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.686
local terms energy: -74.712190
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -367.587666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.587666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.587666 (E_RNA)
where:
Base-Base interactions energy: -250.921
where: short stacking energy: -98.751
Base-Backbone interact. energy: -1.140
local terms energy: -115.527337
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -318.256519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.256519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.256519 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -89.579
Base-Backbone interact. energy: -0.086
local terms energy: -110.365672
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -15.629
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: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -279.338676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.338676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.338676 (E_RNA)
where:
Base-Base interactions energy: -177.194
where: short stacking energy: -88.988
Base-Backbone interact. energy: -0.650
local terms energy: -101.495329
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -23.887
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: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -273.945058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.945058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.945058 (E_RNA)
where:
Base-Base interactions energy: -172.591
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.263
local terms energy: -101.091710
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -283.643866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.643866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.643866 (E_RNA)
where:
Base-Base interactions energy: -178.414
where: short stacking energy: -94.398
Base-Backbone interact. energy: -0.139
local terms energy: -105.091185
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -267.825713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.825713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.825713 (E_RNA)
where:
Base-Base interactions energy: -170.330
where: short stacking energy: -67.130
Base-Backbone interact. energy: -0.915
local terms energy: -96.581245
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -17.071
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: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -234.242967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.242967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.242967 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -72.257
Base-Backbone interact. energy: -1.485
local terms energy: -87.979211
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -13.110
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: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -270.080934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.080934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.080934 (E_RNA)
where:
Base-Base interactions energy: -187.519
where: short stacking energy: -83.401
Base-Backbone interact. energy: -0.245
local terms energy: -82.316654
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -17.959
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: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -230.176273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.176273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.176273 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.491
local terms energy: -88.898715
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -10.522
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: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -113.006505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.006505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.006505 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -32.185
Base-Backbone interact. energy: 0.061
local terms energy: -77.403763
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -1.255
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: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -366.795382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.795382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.795382 (E_RNA)
where:
Base-Base interactions energy: -254.965
where: short stacking energy: -99.249
Base-Backbone interact. energy: -0.313
local terms energy: -111.517654
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -329.721499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.721499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.721499 (E_RNA)
where:
Base-Base interactions energy: -228.532
where: short stacking energy: -96.472
Base-Backbone interact. energy: 1.801
local terms energy: -102.990792
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -294.416149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.416149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.416149 (E_RNA)
where:
Base-Base interactions energy: -186.961
where: short stacking energy: -79.301
Base-Backbone interact. energy: -0.077
local terms energy: -107.378274
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -18.810
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: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -300.129501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.129501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.129501 (E_RNA)
where:
Base-Base interactions energy: -194.827
where: short stacking energy: -94.024
Base-Backbone interact. energy: -0.169
local terms energy: -105.133848
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -26.895
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: 168
Temperature: 1.100000
Total energy: -281.433431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.433431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.433431 (E_RNA)
where:
Base-Base interactions energy: -182.347
where: short stacking energy: -98.481
Base-Backbone interact. energy: -0.048
local terms energy: -99.038680
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -23.030
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: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -271.981441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.981441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.981441 (E_RNA)
where:
Base-Base interactions energy: -175.239
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.115
local terms energy: -96.627409
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -15.870
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -270.107896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.107896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.107896 (E_RNA)
where:
Base-Base interactions energy: -180.776
where: short stacking energy: -82.108
Base-Backbone interact. energy: 0.372
local terms energy: -89.704119
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -202.011111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.011111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.011111 (E_RNA)
where:
Base-Base interactions energy: -118.681
where: short stacking energy: -39.390
Base-Backbone interact. energy: -0.355
local terms energy: -82.975259
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -202.505403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.505403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.505403 (E_RNA)
where:
Base-Base interactions energy: -124.827
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.243
local terms energy: -77.434938
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -106.168888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.168888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.168888 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.465
local terms energy: -67.290280
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -356.617334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.617334 (E_RNA)
where:
Base-Base interactions energy: -254.018
where: short stacking energy: -92.691
Base-Backbone interact. energy: -0.363
local terms energy: -102.235448
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -20.890
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: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -334.384973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.384973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.384973 (E_RNA)
where:
Base-Base interactions energy: -221.096
where: short stacking energy: -100.496
Base-Backbone interact. energy: -0.260
local terms energy: -113.028344
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -26.508
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: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -278.712763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.712763 (E_RNA)
where:
Base-Base interactions energy: -175.494
where: short stacking energy: -96.576
Base-Backbone interact. energy: -0.048
local terms energy: -103.171209
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -297.521230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.521230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.521230 (E_RNA)
where:
Base-Base interactions energy: -205.698
where: short stacking energy: -80.532
Base-Backbone interact. energy: -0.100
local terms energy: -91.722920
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -272.956867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.956867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.956867 (E_RNA)
where:
Base-Base interactions energy: -172.226
where: short stacking energy: -88.220
Base-Backbone interact. energy: 0.167
local terms energy: -100.898243
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -19.907
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: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -268.197554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.197554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.197554 (E_RNA)
where:
Base-Base interactions energy: -172.783
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.676
local terms energy: -94.738240
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -263.168501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.168501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.168501 (E_RNA)
where:
Base-Base interactions energy: -165.709
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.519
local terms energy: -96.940146
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -238.221424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.221424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.221424 (E_RNA)
where:
Base-Base interactions energy: -155.995
where: short stacking energy: -66.314
Base-Backbone interact. energy: -0.434
local terms energy: -81.792560
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -12.988
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: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -203.691933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.691933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.691933 (E_RNA)
where:
Base-Base interactions energy: -111.315
where: short stacking energy: -48.917
Base-Backbone interact. energy: -1.686
local terms energy: -90.691280
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -120.616524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.616524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.616524 (E_RNA)
where:
Base-Base interactions energy: -54.077
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.679
local terms energy: -65.860732
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -344.792470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.792470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.792470 (E_RNA)
where:
Base-Base interactions energy: -223.635
where: short stacking energy: -101.166
Base-Backbone interact. energy: 0.288
local terms energy: -121.445612
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -351.732245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.732245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.732245 (E_RNA)
where:
Base-Base interactions energy: -235.000
where: short stacking energy: -94.614
Base-Backbone interact. energy: -0.421
local terms energy: -116.311284
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -27.496
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: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -302.976153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.976153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.976153 (E_RNA)
where:
Base-Base interactions energy: -211.265
where: short stacking energy: -90.498
Base-Backbone interact. energy: -1.137
local terms energy: -90.574068
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -14.805
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: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -288.546466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.546466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.546466 (E_RNA)
where:
Base-Base interactions energy: -176.316
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.126
local terms energy: -112.105149
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -297.659431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.659431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.659431 (E_RNA)
where:
Base-Base interactions energy: -188.870
where: short stacking energy: -91.581
Base-Backbone interact. energy: -0.696
local terms energy: -108.092537
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -254.779154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.779154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.779154 (E_RNA)
where:
Base-Base interactions energy: -163.667
where: short stacking energy: -63.728
Base-Backbone interact. energy: 0.723
local terms energy: -91.835260
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -282.291924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.291924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.291924 (E_RNA)
where:
Base-Base interactions energy: -196.092
where: short stacking energy: -79.840
Base-Backbone interact. energy: 0.665
local terms energy: -86.865021
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -21.986
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: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -253.717960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.717960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.717960 (E_RNA)
where:
Base-Base interactions energy: -153.591
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.276
local terms energy: -99.851316
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -11.758
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: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -208.393847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.393847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393847 (E_RNA)
where:
Base-Base interactions energy: -114.847
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.598
local terms energy: -92.948721
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -16.444
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: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -107.623790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.623790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.623790 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -33.510
Base-Backbone interact. energy: -0.146
local terms energy: -71.406475
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -338.735719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.735719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.735719 (E_RNA)
where:
Base-Base interactions energy: -226.189
where: short stacking energy: -107.445
Base-Backbone interact. energy: 0.109
local terms energy: -112.655599
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -27.575
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -344.397851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.397851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.397851 (E_RNA)
where:
Base-Base interactions energy: -233.477
where: short stacking energy: -93.013
Base-Backbone interact. energy: -1.186
local terms energy: -109.734300
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -15.153
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: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -325.992991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.992991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.992991 (E_RNA)
where:
Base-Base interactions energy: -228.634
where: short stacking energy: -95.373
Base-Backbone interact. energy: 0.185
local terms energy: -97.544596
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -265.641371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.641371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.641371 (E_RNA)
where:
Base-Base interactions energy: -169.813
where: short stacking energy: -80.109
Base-Backbone interact. energy: -0.229
local terms energy: -95.599784
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -15.964
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -274.302966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.302966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.302966 (E_RNA)
where:
Base-Base interactions energy: -174.218
where: short stacking energy: -90.187
Base-Backbone interact. energy: -0.056
local terms energy: -100.028452
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -15.090
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -304.573353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.573353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.573353 (E_RNA)
where:
Base-Base interactions energy: -211.888
where: short stacking energy: -89.879
Base-Backbone interact. energy: 0.696
local terms energy: -93.380991
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -263.222193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.222193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.222193 (E_RNA)
where:
Base-Base interactions energy: -176.301
where: short stacking energy: -79.751
Base-Backbone interact. energy: -0.230
local terms energy: -86.691519
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -205.635032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635032 (E_RNA)
where:
Base-Base interactions energy: -122.126
where: short stacking energy: -63.937
Base-Backbone interact. energy: -1.036
local terms energy: -82.472998
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -202.101898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101898 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.465
local terms energy: -72.503428
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -133.808559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.808559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.808559 (E_RNA)
where:
Base-Base interactions energy: -52.314
where: short stacking energy: -45.017
Base-Backbone interact. energy: -0.100
local terms energy: -81.394797
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.752
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: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -347.069581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.069581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.069581 (E_RNA)
where:
Base-Base interactions energy: -236.235
where: short stacking energy: -93.566
Base-Backbone interact. energy: 0.880
local terms energy: -111.714570
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -325.263302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.263302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.263302 (E_RNA)
where:
Base-Base interactions energy: -215.064
where: short stacking energy: -98.148
Base-Backbone interact. energy: -0.112
local terms energy: -110.087053
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -18.180
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: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -336.822383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.822383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.822383 (E_RNA)
where:
Base-Base interactions energy: -237.092
where: short stacking energy: -97.929
Base-Backbone interact. energy: -0.859
local terms energy: -98.871376
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -25.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -284.209965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.209965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.209965 (E_RNA)
where:
Base-Base interactions energy: -184.125
where: short stacking energy: -92.290
Base-Backbone interact. energy: -0.235
local terms energy: -99.849542
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -27.782
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: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -313.444785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.444785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.444785 (E_RNA)
where:
Base-Base interactions energy: -208.614
where: short stacking energy: -87.346
Base-Backbone interact. energy: -0.264
local terms energy: -104.566414
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -30.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -261.037808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.037808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.037808 (E_RNA)
where:
Base-Base interactions energy: -171.172
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.717
local terms energy: -89.148585
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -20.236
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -260.559988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.559988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.559988 (E_RNA)
where:
Base-Base interactions energy: -168.222
where: short stacking energy: -57.839
Base-Backbone interact. energy: 0.455
local terms energy: -92.792949
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -205.788627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788627 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.166
local terms energy: -88.276594
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -8.947
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: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -107.681516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.681516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.681516 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.427
local terms energy: -63.887152
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -1.415
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -189.670866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.670866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.670866 (E_RNA)
where:
Base-Base interactions energy: -117.164
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.167
local terms energy: -72.340064
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -337.768453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.768453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.768453 (E_RNA)
where:
Base-Base interactions energy: -231.413
where: short stacking energy: -92.388
Base-Backbone interact. energy: -0.392
local terms energy: -105.962678
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -28.500
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: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -338.517710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.517710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.517710 (E_RNA)
where:
Base-Base interactions energy: -231.183
where: short stacking energy: -106.463
Base-Backbone interact. energy: -0.010
local terms energy: -107.324291
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -326.959331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.959331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.959331 (E_RNA)
where:
Base-Base interactions energy: -213.350
where: short stacking energy: -99.059
Base-Backbone interact. energy: -0.261
local terms energy: -113.348566
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -330.272117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.272117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.272117 (E_RNA)
where:
Base-Base interactions energy: -226.048
where: short stacking energy: -91.441
Base-Backbone interact. energy: -0.998
local terms energy: -103.226335
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -16.707
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -275.645350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.645350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.645350 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.516
local terms energy: -106.261040
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -271.664349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.664349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.664349 (E_RNA)
where:
Base-Base interactions energy: -173.994
where: short stacking energy: -81.311
Base-Backbone interact. energy: -0.767
local terms energy: -96.903541
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -21.931
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: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -240.578789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.578789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.578789 (E_RNA)
where:
Base-Base interactions energy: -160.786
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.550
local terms energy: -79.242158
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -254.258749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.258749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.258749 (E_RNA)
where:
Base-Base interactions energy: -156.441
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.099
local terms energy: -97.718405
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -104.688348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.688348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.688348 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.169
local terms energy: -63.942132
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -193.797965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.797965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.797965 (E_RNA)
where:
Base-Base interactions energy: -119.455
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.017
local terms energy: -74.325944
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -354.107904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.107904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.107904 (E_RNA)
where:
Base-Base interactions energy: -240.895
where: short stacking energy: -97.205
Base-Backbone interact. energy: -0.366
local terms energy: -112.846881
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -342.291087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.291087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.291087 (E_RNA)
where:
Base-Base interactions energy: -229.853
where: short stacking energy: -102.187
Base-Backbone interact. energy: -0.232
local terms energy: -112.206082
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -30.473
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: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -319.909066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.909066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.909066 (E_RNA)
where:
Base-Base interactions energy: -221.496
where: short stacking energy: -91.570
Base-Backbone interact. energy: -0.775
local terms energy: -97.638094
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -17.818
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: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -308.327077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.327077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.327077 (E_RNA)
where:
Base-Base interactions energy: -214.207
where: short stacking energy: -99.259
Base-Backbone interact. energy: 1.368
local terms energy: -95.487544
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -15.536
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -272.393795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.393795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.393795 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.133
local terms energy: -108.622651
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -265.646426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.646426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.646426 (E_RNA)
where:
Base-Base interactions energy: -171.519
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.086
local terms energy: -94.041656
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -257.165489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.165489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.165489 (E_RNA)
where:
Base-Base interactions energy: -167.238
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.671
local terms energy: -89.256387
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -246.800967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.800967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.800967 (E_RNA)
where:
Base-Base interactions energy: -154.730
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.311
local terms energy: -91.759986
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -9.849
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: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -204.529507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.529507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529507 (E_RNA)
where:
Base-Base interactions energy: -117.740
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.166
local terms energy: -86.623881
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -110.610599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.610599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.610599 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.019
local terms energy: -70.148781
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -346.392915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.392915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.392915 (E_RNA)
where:
Base-Base interactions energy: -238.447
where: short stacking energy: -93.258
Base-Backbone interact. energy: -0.551
local terms energy: -107.395223
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -25.207
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: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -332.026988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.026988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.026988 (E_RNA)
where:
Base-Base interactions energy: -226.098
where: short stacking energy: -94.214
Base-Backbone interact. energy: -1.291
local terms energy: -104.638511
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -17.683
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: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -332.657101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.657101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.657101 (E_RNA)
where:
Base-Base interactions energy: -210.235
where: short stacking energy: -99.891
Base-Backbone interact. energy: 0.162
local terms energy: -122.583952
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -29.665
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: 175
Temperature: 1.050000
Total energy: -302.700447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.700447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.700447 (E_RNA)
where:
Base-Base interactions energy: -190.685
where: short stacking energy: -71.382
Base-Backbone interact. energy: -0.281
local terms energy: -111.734345
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -263.782711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.782711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.782711 (E_RNA)
where:
Base-Base interactions energy: -164.302
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.321
local terms energy: -99.159219
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -294.363008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.363008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.363008 (E_RNA)
where:
Base-Base interactions energy: -193.939
where: short stacking energy: -85.543
Base-Backbone interact. energy: -0.210
local terms energy: -100.214611
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -14.816
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: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -299.853262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.853262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.853262 (E_RNA)
where:
Base-Base interactions energy: -207.689
where: short stacking energy: -87.492
Base-Backbone interact. energy: 0.918
local terms energy: -93.082200
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -21.956
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: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -241.716636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.716636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.716636 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -66.615
Base-Backbone interact. energy: 0.538
local terms energy: -91.154387
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -203.909070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.909070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.909070 (E_RNA)
where:
Base-Base interactions energy: -125.322
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.067
local terms energy: -78.519803
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -123.421947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.421947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.421947 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -42.339
Base-Backbone interact. energy: -0.090
local terms energy: -77.889845
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -344.847346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.847346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.847346 (E_RNA)
where:
Base-Base interactions energy: -222.078
where: short stacking energy: -92.939
Base-Backbone interact. energy: -0.041
local terms energy: -122.728014
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -338.773059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.773059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.773059 (E_RNA)
where:
Base-Base interactions energy: -232.117
where: short stacking energy: -96.883
Base-Backbone interact. energy: -0.827
local terms energy: -105.828439
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -20.250
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: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -306.046007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.046007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.046007 (E_RNA)
where:
Base-Base interactions energy: -204.862
where: short stacking energy: -95.393
Base-Backbone interact. energy: -0.069
local terms energy: -101.115129
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -303.685562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.685562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.685562 (E_RNA)
where:
Base-Base interactions energy: -205.104
where: short stacking energy: -87.820
Base-Backbone interact. energy: 0.472
local terms energy: -99.053736
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -17.806
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: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -288.075401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075401 (E_RNA)
where:
Base-Base interactions energy: -184.125
where: short stacking energy: -81.545
Base-Backbone interact. energy: -0.272
local terms energy: -103.678424
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -13.197
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -270.541947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.541947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.541947 (E_RNA)
where:
Base-Base interactions energy: -167.068
where: short stacking energy: -77.814
Base-Backbone interact. energy: -0.193
local terms energy: -103.281352
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -19.840
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: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -274.713263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.713263 (E_RNA)
where:
Base-Base interactions energy: -182.542
where: short stacking energy: -79.628
Base-Backbone interact. energy: 0.240
local terms energy: -92.411765
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -260.284552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.284552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.284552 (E_RNA)
where:
Base-Base interactions energy: -169.104
where: short stacking energy: -86.129
Base-Backbone interact. energy: -0.771
local terms energy: -90.409114
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -13.984
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: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -213.425836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425836 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.221
local terms energy: -78.697582
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -114.742976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.742976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.742976 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.146
local terms energy: -66.641216
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -349.382635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.382635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.382635 (E_RNA)
where:
Base-Base interactions energy: -243.822
where: short stacking energy: -100.510
Base-Backbone interact. energy: -0.388
local terms energy: -105.172987
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -23.388
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -346.990547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.990547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.990547 (E_RNA)
where:
Base-Base interactions energy: -235.646
where: short stacking energy: -87.807
Base-Backbone interact. energy: -1.449
local terms energy: -109.895998
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -304.869184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.869184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.869184 (E_RNA)
where:
Base-Base interactions energy: -202.780
where: short stacking energy: -82.135
Base-Backbone interact. energy: -0.390
local terms energy: -101.699714
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -23.008
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -290.004430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.004430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.004430 (E_RNA)
where:
Base-Base interactions energy: -185.498
where: short stacking energy: -87.744
Base-Backbone interact. energy: -0.725
local terms energy: -103.781486
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -300.455225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.455225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.455225 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -76.485
Base-Backbone interact. energy: -0.182
local terms energy: -107.823165
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -265.422683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.422683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.422683 (E_RNA)
where:
Base-Base interactions energy: -170.675
where: short stacking energy: -76.673
Base-Backbone interact. energy: -0.305
local terms energy: -94.442860
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -19.189
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: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -264.569940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.569940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.569940 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -86.279
Base-Backbone interact. energy: -0.029
local terms energy: -94.581630
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -267.731278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.731278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.731278 (E_RNA)
where:
Base-Base interactions energy: -169.655
where: short stacking energy: -79.000
Base-Backbone interact. energy: -0.107
local terms energy: -97.969690
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -24.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -196.276845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.276845 (E_RNA)
where:
Base-Base interactions energy: -116.288
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.200
local terms energy: -79.788925
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -101.184126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.184126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.184126 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.287
local terms energy: -61.919012
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -352.260924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.260924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.260924 (E_RNA)
where:
Base-Base interactions energy: -233.848
where: short stacking energy: -105.371
Base-Backbone interact. energy: 0.000
local terms energy: -118.412738
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -349.541951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.541951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.541951 (E_RNA)
where:
Base-Base interactions energy: -232.351
where: short stacking energy: -106.277
Base-Backbone interact. energy: -0.356
local terms energy: -116.834881
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -25.714
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: 178
Temperature: 1.000000
Total energy: -315.694092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.694092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.694092 (E_RNA)
where:
Base-Base interactions energy: -206.080
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.898
local terms energy: -108.715471
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -304.679782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.679782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.679782 (E_RNA)
where:
Base-Base interactions energy: -195.252
where: short stacking energy: -85.207
Base-Backbone interact. energy: -0.723
local terms energy: -108.704467
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -21.017
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -273.006190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.006190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.006190 (E_RNA)
where:
Base-Base interactions energy: -190.332
where: short stacking energy: -81.218
Base-Backbone interact. energy: -0.458
local terms energy: -82.215686
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -15.798
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: 178
Temperature: 1.150000
Total energy: -282.604424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.604424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.604424 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -79.208
Base-Backbone interact. energy: -0.990
local terms energy: -90.001204
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -19.244
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: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -264.710053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.710053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.710053 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -76.600
Base-Backbone interact. energy: 2.448
local terms energy: -101.950827
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -243.040309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.040309 (E_RNA)
where:
Base-Base interactions energy: -157.431
where: short stacking energy: -69.875
Base-Backbone interact. energy: -1.055
local terms energy: -84.553684
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -11.871
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: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -109.716082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.716082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.716082 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -44.298
Base-Backbone interact. energy: 1.313
local terms energy: -66.730767
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -204.701840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701840 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.071
local terms energy: -86.055703
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -339.803020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.803020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.803020 (E_RNA)
where:
Base-Base interactions energy: -232.582
where: short stacking energy: -104.119
Base-Backbone interact. energy: -0.943
local terms energy: -106.277824
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -19.561
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: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -341.407079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.407079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.407079 (E_RNA)
where:
Base-Base interactions energy: -232.624
where: short stacking energy: -104.210
Base-Backbone interact. energy: -1.811
local terms energy: -106.971467
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -17.721
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: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -321.758945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.758945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.758945 (E_RNA)
where:
Base-Base interactions energy: -218.930
where: short stacking energy: -93.789
Base-Backbone interact. energy: -0.026
local terms energy: -102.803605
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -25.531
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: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -313.557007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.557007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.557007 (E_RNA)
where:
Base-Base interactions energy: -203.726
where: short stacking energy: -90.644
Base-Backbone interact. energy: -0.123
local terms energy: -109.708249
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -27.240
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: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -282.126651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.126651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.126651 (E_RNA)
where:
Base-Base interactions energy: -191.875
where: short stacking energy: -92.485
Base-Backbone interact. energy: -0.253
local terms energy: -89.998563
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -265.420408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.420408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.420408 (E_RNA)
where:
Base-Base interactions energy: -163.562
where: short stacking energy: -78.017
Base-Backbone interact. energy: -0.313
local terms energy: -101.544846
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -9.832
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: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -274.535351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.535351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.535351 (E_RNA)
where:
Base-Base interactions energy: -179.213
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.568
local terms energy: -94.754375
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -12.529
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: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -240.979275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.979275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.979275 (E_RNA)
where:
Base-Base interactions energy: -154.777
where: short stacking energy: -71.719
Base-Backbone interact. energy: 0.062
local terms energy: -86.264296
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -14.072
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: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -117.735637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.735637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.735637 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -33.927
Base-Backbone interact. energy: 0.428
local terms energy: -79.680411
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -4.026
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: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -225.148546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.148546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.148546 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -52.869
Base-Backbone interact. energy: 0.015
local terms energy: -85.632122
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -354.194574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.194574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.194574 (E_RNA)
where:
Base-Base interactions energy: -243.373
where: short stacking energy: -111.015
Base-Backbone interact. energy: -0.366
local terms energy: -110.455717
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -331.932974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.932974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.932974 (E_RNA)
where:
Base-Base interactions energy: -222.808
where: short stacking energy: -91.470
Base-Backbone interact. energy: -1.848
local terms energy: -107.276933
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -337.368641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.368641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.368641 (E_RNA)
where:
Base-Base interactions energy: -230.132
where: short stacking energy: -94.549
Base-Backbone interact. energy: -1.163
local terms energy: -106.073110
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -24.064
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: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -303.689542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.689542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.689542 (E_RNA)
where:
Base-Base interactions energy: -206.567
where: short stacking energy: -93.766
Base-Backbone interact. energy: -0.781
local terms energy: -96.341411
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -15.624
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: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -263.334626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.334626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.334626 (E_RNA)
where:
Base-Base interactions energy: -160.950
where: short stacking energy: -67.353
Base-Backbone interact. energy: -1.094
local terms energy: -101.290743
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -16.838
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: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -254.080358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.080358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.080358 (E_RNA)
where:
Base-Base interactions energy: -165.890
where: short stacking energy: -71.104
Base-Backbone interact. energy: -0.552
local terms energy: -87.637592
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -269.020900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.020900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.020900 (E_RNA)
where:
Base-Base interactions energy: -188.836
where: short stacking energy: -74.340
Base-Backbone interact. energy: -0.003
local terms energy: -80.182348
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -254.239778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.239778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.239778 (E_RNA)
where:
Base-Base interactions energy: -164.131
where: short stacking energy: -79.280
Base-Backbone interact. energy: -1.058
local terms energy: -89.051566
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -21.046
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -237.731781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731781 (E_RNA)
where:
Base-Base interactions energy: -156.178
where: short stacking energy: -76.628
Base-Backbone interact. energy: 0.627
local terms energy: -82.180398
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -101.166356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166356 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -27.377
Base-Backbone interact. energy: 0.649
local terms energy: -70.790981
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -352.854329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.854329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.854329 (E_RNA)
where:
Base-Base interactions energy: -242.719
where: short stacking energy: -101.382
Base-Backbone interact. energy: -1.402
local terms energy: -108.733461
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -26.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -318.122902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.122902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.122902 (E_RNA)
where:
Base-Base interactions energy: -212.103
where: short stacking energy: -94.432
Base-Backbone interact. energy: -1.524
local terms energy: -104.495155
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -23.424
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -343.438680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.438680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.438680 (E_RNA)
where:
Base-Base interactions energy: -230.058
where: short stacking energy: -90.425
Base-Backbone interact. energy: -1.049
local terms energy: -112.332332
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -297.951268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.951268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.951268 (E_RNA)
where:
Base-Base interactions energy: -204.481
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.511
local terms energy: -92.958835
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -271.910411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.910411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.910411 (E_RNA)
where:
Base-Base interactions energy: -169.295
where: short stacking energy: -74.012
Base-Backbone interact. energy: -0.037
local terms energy: -102.578554
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -235.055326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.055326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.055326 (E_RNA)
where:
Base-Base interactions energy: -161.034
where: short stacking energy: -82.804
Base-Backbone interact. energy: -0.662
local terms energy: -73.359787
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -251.744892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.744892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.744892 (E_RNA)
where:
Base-Base interactions energy: -166.718
where: short stacking energy: -73.801
Base-Backbone interact. energy: -0.469
local terms energy: -84.557686
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -12.648
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -243.329427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.329427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.329427 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -70.851
Base-Backbone interact. energy: -1.536
local terms energy: -88.684594
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -15.141
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: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -242.219622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.219622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.219622 (E_RNA)
where:
Base-Base interactions energy: -155.668
where: short stacking energy: -76.288
Base-Backbone interact. energy: -0.134
local terms energy: -86.418169
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -14.624
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -104.224400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.224400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.224400 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -23.667
Base-Backbone interact. energy: -1.324
local terms energy: -71.006410
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -362.489335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.489335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.489335 (E_RNA)
where:
Base-Base interactions energy: -253.916
where: short stacking energy: -104.684
Base-Backbone interact. energy: -0.439
local terms energy: -108.134251
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -318.162420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.162420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.162420 (E_RNA)
where:
Base-Base interactions energy: -214.597
where: short stacking energy: -92.369
Base-Backbone interact. energy: -2.067
local terms energy: -101.497808
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -13.513
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: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -341.866056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.866056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.866056 (E_RNA)
where:
Base-Base interactions energy: -242.899
where: short stacking energy: -93.845
Base-Backbone interact. energy: -0.238
local terms energy: -98.728866
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -9.361
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: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -302.866461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.866461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.866461 (E_RNA)
where:
Base-Base interactions energy: -200.680
where: short stacking energy: -77.476
Base-Backbone interact. energy: 0.469
local terms energy: -102.655932
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -20.444
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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -259.927801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.927801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.927801 (E_RNA)
where:
Base-Base interactions energy: -170.886
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.222
local terms energy: -88.819401
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -270.054629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.054629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.054629 (E_RNA)
where:
Base-Base interactions energy: -184.006
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.119
local terms energy: -85.928763
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -15.108
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -254.166225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.166225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.166225 (E_RNA)
where:
Base-Base interactions energy: -159.416
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.289
local terms energy: -94.461398
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -14.432
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: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -229.380037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380037 (E_RNA)
where:
Base-Base interactions energy: -152.629
where: short stacking energy: -68.367
Base-Backbone interact. energy: 2.414
local terms energy: -79.164936
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -241.304465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.304465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.304465 (E_RNA)
where:
Base-Base interactions energy: -151.637
where: short stacking energy: -64.661
Base-Backbone interact. energy: -0.525
local terms energy: -89.142263
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -113.516227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.516227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.516227 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -32.669
Base-Backbone interact. energy: 0.412
local terms energy: -74.897990
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.168
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: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -369.892971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.892971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.892971 (E_RNA)
where:
Base-Base interactions energy: -261.738
where: short stacking energy: -98.578
Base-Backbone interact. energy: -0.927
local terms energy: -107.228632
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -24.950
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -355.707611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.707611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.707611 (E_RNA)
where:
Base-Base interactions energy: -252.745
where: short stacking energy: -96.922
Base-Backbone interact. energy: -1.233
local terms energy: -101.729547
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -317.914176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.914176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.914176 (E_RNA)
where:
Base-Base interactions energy: -216.471
where: short stacking energy: -76.421
Base-Backbone interact. energy: -0.768
local terms energy: -100.674932
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -312.279080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.279080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.279080 (E_RNA)
where:
Base-Base interactions energy: -211.637
where: short stacking energy: -94.514
Base-Backbone interact. energy: -0.949
local terms energy: -99.692895
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -263.094286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.094286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.094286 (E_RNA)
where:
Base-Base interactions energy: -160.642
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.873
local terms energy: -101.579992
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -268.882959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.882959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.882959 (E_RNA)
where:
Base-Base interactions energy: -182.615
where: short stacking energy: -86.106
Base-Backbone interact. energy: -0.207
local terms energy: -86.060997
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -273.362779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.362779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.362779 (E_RNA)
where:
Base-Base interactions energy: -178.442
where: short stacking energy: -94.367
Base-Backbone interact. energy: -0.015
local terms energy: -94.906039
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -13.711
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -245.962469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.962469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.962469 (E_RNA)
where:
Base-Base interactions energy: -156.162
where: short stacking energy: -65.100
Base-Backbone interact. energy: -1.448
local terms energy: -88.352856
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -215.901338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901338 (E_RNA)
where:
Base-Base interactions energy: -136.517
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.063
local terms energy: -79.321586
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -120.969514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.969514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.969514 (E_RNA)
where:
Base-Base interactions energy: -44.526
where: short stacking energy: -39.946
Base-Backbone interact. energy: -0.168
local terms energy: -76.275169
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -370.089084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.089084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.089084 (E_RNA)
where:
Base-Base interactions energy: -261.967
where: short stacking energy: -100.113
Base-Backbone interact. energy: -1.107
local terms energy: -107.015026
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -356.612447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.612447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.612447 (E_RNA)
where:
Base-Base interactions energy: -249.341
where: short stacking energy: -101.273
Base-Backbone interact. energy: 0.056
local terms energy: -107.328160
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -25.149
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: 184
Temperature: 1.000000
Total energy: -322.648033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.648033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.648033 (E_RNA)
where:
Base-Base interactions energy: -220.686
where: short stacking energy: -97.056
Base-Backbone interact. energy: -0.689
local terms energy: -101.272756
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -305.579386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.579386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.579386 (E_RNA)
where:
Base-Base interactions energy: -202.056
where: short stacking energy: -78.886
Base-Backbone interact. energy: -1.068
local terms energy: -102.455867
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -281.432463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.432463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.432463 (E_RNA)
where:
Base-Base interactions energy: -176.204
where: short stacking energy: -87.245
Base-Backbone interact. energy: -0.196
local terms energy: -105.033219
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -238.706063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.706063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.706063 (E_RNA)
where:
Base-Base interactions energy: -152.043
where: short stacking energy: -75.766
Base-Backbone interact. energy: -0.208
local terms energy: -86.455626
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -10.513
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: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -260.081360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.081360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.081360 (E_RNA)
where:
Base-Base interactions energy: -172.963
where: short stacking energy: -74.799
Base-Backbone interact. energy: -0.266
local terms energy: -86.852771
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -257.455390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.455390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.455390 (E_RNA)
where:
Base-Base interactions energy: -172.678
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.200
local terms energy: -84.577257
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -246.453370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.453370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.453370 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -71.418
Base-Backbone interact. energy: -0.104
local terms energy: -93.260084
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -127.403625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.403625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.403625 (E_RNA)
where:
Base-Base interactions energy: -42.878
where: short stacking energy: -41.261
Base-Backbone interact. energy: 1.071
local terms energy: -85.596585
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -14.401
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: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -363.337186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.337186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.337186 (E_RNA)
where:
Base-Base interactions energy: -258.081
where: short stacking energy: -103.157
Base-Backbone interact. energy: -1.363
local terms energy: -103.893633
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -366.586242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.586242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.586242 (E_RNA)
where:
Base-Base interactions energy: -251.661
where: short stacking energy: -98.511
Base-Backbone interact. energy: -0.689
local terms energy: -114.236371
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -307.922287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.922287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.922287 (E_RNA)
where:
Base-Base interactions energy: -199.574
where: short stacking energy: -91.881
Base-Backbone interact. energy: -0.709
local terms energy: -107.638795
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -298.653421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.653421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.653421 (E_RNA)
where:
Base-Base interactions energy: -194.270
where: short stacking energy: -91.477
Base-Backbone interact. energy: -0.212
local terms energy: -104.171255
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -282.211805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.211805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.211805 (E_RNA)
where:
Base-Base interactions energy: -189.709
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.905
local terms energy: -91.597646
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -255.604948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.604948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.604948 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.528
local terms energy: -89.436599
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -236.244236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.244236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.244236 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -60.338
Base-Backbone interact. energy: -1.476
local terms energy: -85.564552
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -249.100020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.100020 (E_RNA)
where:
Base-Base interactions energy: -166.587
where: short stacking energy: -82.784
Base-Backbone interact. energy: -0.040
local terms energy: -82.473291
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -229.534821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.534821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.534821 (E_RNA)
where:
Base-Base interactions energy: -151.312
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.325
local terms energy: -77.897318
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -13.834
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -107.337695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.337695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.337695 (E_RNA)
where:
Base-Base interactions energy: -35.921
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.409
local terms energy: -71.008026
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: 0.283
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -370.069456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.069456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.069456 (E_RNA)
where:
Base-Base interactions energy: -254.942
where: short stacking energy: -96.958
Base-Backbone interact. energy: -0.305
local terms energy: -114.821802
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -19.492
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: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -350.748536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.748536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.748536 (E_RNA)
where:
Base-Base interactions energy: -251.722
where: short stacking energy: -98.501
Base-Backbone interact. energy: 3.015
local terms energy: -102.041345
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -293.819312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.819312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.819312 (E_RNA)
where:
Base-Base interactions energy: -192.187
where: short stacking energy: -92.452
Base-Backbone interact. energy: -0.198
local terms energy: -101.433924
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -307.144801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.144801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.144801 (E_RNA)
where:
Base-Base interactions energy: -198.360
where: short stacking energy: -89.828
Base-Backbone interact. energy: -2.142
local terms energy: -106.642686
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -26.335
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: 186
Temperature: 1.100000
Total energy: -302.427124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.427124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.427124 (E_RNA)
where:
Base-Base interactions energy: -196.105
where: short stacking energy: -87.082
Base-Backbone interact. energy: -0.327
local terms energy: -105.994732
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -247.803098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.803098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.803098 (E_RNA)
where:
Base-Base interactions energy: -162.552
where: short stacking energy: -79.672
Base-Backbone interact. energy: 1.301
local terms energy: -86.551506
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -18.353
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: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -249.619587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.619587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.619587 (E_RNA)
where:
Base-Base interactions energy: -161.033
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.010
local terms energy: -88.576591
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -247.298827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.298827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.298827 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -70.299
Base-Backbone interact. energy: 0.804
local terms energy: -89.763121
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -219.557722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.557722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.557722 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -62.923
Base-Backbone interact. energy: -0.034
local terms energy: -83.942880
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -109.256496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256496 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.260
local terms energy: -69.284526
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -0.279
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: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -366.101189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.101189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.101189 (E_RNA)
where:
Base-Base interactions energy: -254.393
where: short stacking energy: -84.792
Base-Backbone interact. energy: -0.459
local terms energy: -111.249144
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -29.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -316.350296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.350296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.350296 (E_RNA)
where:
Base-Base interactions energy: -211.450
where: short stacking energy: -92.131
Base-Backbone interact. energy: -0.204
local terms energy: -104.695715
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -19.271
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: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -330.142200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.142200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.142200 (E_RNA)
where:
Base-Base interactions energy: -227.446
where: short stacking energy: -79.804
Base-Backbone interact. energy: -0.896
local terms energy: -101.800483
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -13.343
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -304.003782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.003782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.003782 (E_RNA)
where:
Base-Base interactions energy: -202.018
where: short stacking energy: -97.699
Base-Backbone interact. energy: -0.295
local terms energy: -101.690159
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -12.154
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: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -269.865251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.865251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.865251 (E_RNA)
where:
Base-Base interactions energy: -170.224
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.014
local terms energy: -99.627820
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -13.845
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: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -269.084340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.084340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.084340 (E_RNA)
where:
Base-Base interactions energy: -171.356
where: short stacking energy: -77.758
Base-Backbone interact. energy: -1.402
local terms energy: -96.325843
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -12.614
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -280.167277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.167277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.167277 (E_RNA)
where:
Base-Base interactions energy: -188.750
where: short stacking energy: -84.817
Base-Backbone interact. energy: -0.163
local terms energy: -91.254429
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -12.646
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -203.821249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.821249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.821249 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.008
local terms energy: -82.776825
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -11.036
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: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -253.173781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.173781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.173781 (E_RNA)
where:
Base-Base interactions energy: -164.095
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.307
local terms energy: -88.772009
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -102.937551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937551 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -38.939
Base-Backbone interact. energy: 0.568
local terms energy: -64.053440
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -363.537166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.537166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.537166 (E_RNA)
where:
Base-Base interactions energy: -253.055
where: short stacking energy: -100.491
Base-Backbone interact. energy: -1.356
local terms energy: -109.126885
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -23.794
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -290.413709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.413709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.413709 (E_RNA)
where:
Base-Base interactions energy: -186.556
where: short stacking energy: -92.388
Base-Backbone interact. energy: -0.515
local terms energy: -103.342083
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -329.531479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.531479 (E_RNA)
where:
Base-Base interactions energy: -221.381
where: short stacking energy: -80.392
Base-Backbone interact. energy: -0.036
local terms energy: -108.114132
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -21.748
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -305.242550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.242550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.242550 (E_RNA)
where:
Base-Base interactions energy: -202.038
where: short stacking energy: -81.851
Base-Backbone interact. energy: -1.034
local terms energy: -102.170304
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -20.579
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: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -280.961928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.961928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.961928 (E_RNA)
where:
Base-Base interactions energy: -189.156
where: short stacking energy: -82.323
Base-Backbone interact. energy: 1.054
local terms energy: -92.860085
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -13.916
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -261.383563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.383563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.383563 (E_RNA)
where:
Base-Base interactions energy: -173.570
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.272
local terms energy: -87.541343
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -15.108
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: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -247.699183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.699183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.699183 (E_RNA)
where:
Base-Base interactions energy: -158.420
where: short stacking energy: -75.554
Base-Backbone interact. energy: 2.854
local terms energy: -92.133252
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -251.889671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.889671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.889671 (E_RNA)
where:
Base-Base interactions energy: -157.978
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.530
local terms energy: -93.381454
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -247.355017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.355017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.355017 (E_RNA)
where:
Base-Base interactions energy: -164.886
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.556
local terms energy: -81.913588
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -12.215
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: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -96.782336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.782336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.782336 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.439
local terms energy: -66.001615
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: 4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -364.073266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.073266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.073266 (E_RNA)
where:
Base-Base interactions energy: -257.742
where: short stacking energy: -97.996
Base-Backbone interact. energy: -0.698
local terms energy: -105.633488
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -309.425244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.425244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.425244 (E_RNA)
where:
Base-Base interactions energy: -201.436
where: short stacking energy: -93.983
Base-Backbone interact. energy: 0.080
local terms energy: -108.069782
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -301.444876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.444876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.444876 (E_RNA)
where:
Base-Base interactions energy: -190.809
where: short stacking energy: -101.290
Base-Backbone interact. energy: -0.151
local terms energy: -110.484734
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -28.719
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: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -320.794378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.794378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.794378 (E_RNA)
where:
Base-Base interactions energy: -209.510
where: short stacking energy: -92.505
Base-Backbone interact. energy: 0.215
local terms energy: -111.498672
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -26.933
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: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -275.425675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.425675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.425675 (E_RNA)
where:
Base-Base interactions energy: -178.317
where: short stacking energy: -71.150
Base-Backbone interact. energy: -0.808
local terms energy: -96.300989
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -244.922298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.922298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.922298 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -72.633
Base-Backbone interact. energy: -0.263
local terms energy: -96.078271
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -13.148
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: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -261.366011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.366011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.366011 (E_RNA)
where:
Base-Base interactions energy: -165.702
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.058
local terms energy: -95.605461
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -245.250172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.250172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.250172 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.163
local terms energy: -92.872018
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -12.645
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: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -237.661640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.661640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.661640 (E_RNA)
where:
Base-Base interactions energy: -146.887
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.580
local terms energy: -90.195294
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -109.546680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.546680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.546680 (E_RNA)
where:
Base-Base interactions energy: -60.192
where: short stacking energy: -37.514
Base-Backbone interact. energy: 1.629
local terms energy: -50.984263
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -3.814
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -1.502
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: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -366.837487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.837487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.837487 (E_RNA)
where:
Base-Base interactions energy: -254.312
where: short stacking energy: -93.796
Base-Backbone interact. energy: -0.434
local terms energy: -112.092363
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -25.128
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: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -325.871222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.871222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.871222 (E_RNA)
where:
Base-Base interactions energy: -216.625
where: short stacking energy: -102.736
Base-Backbone interact. energy: -0.216
local terms energy: -109.030410
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -29.261
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -319.088830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.088830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.088830 (E_RNA)
where:
Base-Base interactions energy: -208.893
where: short stacking energy: -96.189
Base-Backbone interact. energy: -0.245
local terms energy: -109.950360
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -25.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -298.632654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.632654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.632654 (E_RNA)
where:
Base-Base interactions energy: -194.645
where: short stacking energy: -96.994
Base-Backbone interact. energy: -0.155
local terms energy: -103.832619
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -284.589512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.589512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.589512 (E_RNA)
where:
Base-Base interactions energy: -191.179
where: short stacking energy: -84.800
Base-Backbone interact. energy: 1.956
local terms energy: -95.367358
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -21.444
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -243.418097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.418097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.418097 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.034
local terms energy: -99.595129
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -16.238
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: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -268.942928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.942928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.942928 (E_RNA)
where:
Base-Base interactions energy: -172.210
where: short stacking energy: -74.545
Base-Backbone interact. energy: -1.847
local terms energy: -94.885914
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -14.724
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: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -206.945768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.945768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.945768 (E_RNA)
where:
Base-Base interactions energy: -123.122
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.682
local terms energy: -83.141965
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -16.088
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: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -222.152986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.152986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.152986 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.264
local terms energy: -67.424942
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -12.770
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -105.332187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.332187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.332187 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -34.053
Base-Backbone interact. energy: 1.074
local terms energy: -72.435214
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -365.055006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.055006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.055006 (E_RNA)
where:
Base-Base interactions energy: -239.940
where: short stacking energy: -103.037
Base-Backbone interact. energy: -1.927
local terms energy: -123.188277
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -330.271863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.271863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.271863 (E_RNA)
where:
Base-Base interactions energy: -214.173
where: short stacking energy: -92.914
Base-Backbone interact. energy: 1.244
local terms energy: -117.342716
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -318.124185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.124185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.124185 (E_RNA)
where:
Base-Base interactions energy: -209.291
where: short stacking energy: -98.089
Base-Backbone interact. energy: -0.290
local terms energy: -108.543475
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -296.898586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.898586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.898586 (E_RNA)
where:
Base-Base interactions energy: -198.192
where: short stacking energy: -91.778
Base-Backbone interact. energy: -0.018
local terms energy: -98.689304
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -13.080
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: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -282.080409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.080409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.080409 (E_RNA)
where:
Base-Base interactions energy: -193.405
where: short stacking energy: -85.089
Base-Backbone interact. energy: -0.748
local terms energy: -87.926553
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -278.228741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.228741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.228741 (E_RNA)
where:
Base-Base interactions energy: -173.554
where: short stacking energy: -79.940
Base-Backbone interact. energy: -0.506
local terms energy: -104.168266
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -250.005212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.005212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.005212 (E_RNA)
where:
Base-Base interactions energy: -168.302
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.128
local terms energy: -81.575444
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -233.255618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.255618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.255618 (E_RNA)
where:
Base-Base interactions energy: -140.257
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.239
local terms energy: -92.759687
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -14.657
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: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -176.897986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.897986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.897986 (E_RNA)
where:
Base-Base interactions energy: -104.114
where: short stacking energy: -45.895
Base-Backbone interact. energy: -1.037
local terms energy: -71.746905
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: 2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -125.188751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.188751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.188751 (E_RNA)
where:
Base-Base interactions energy: -56.112
where: short stacking energy: -33.264
Base-Backbone interact. energy: -1.375
local terms energy: -67.701634
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -3.124
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: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -361.673039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.673039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.673039 (E_RNA)
where:
Base-Base interactions energy: -244.446
where: short stacking energy: -98.217
Base-Backbone interact. energy: -0.236
local terms energy: -116.991149
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -28.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -337.148815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.148815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.148815 (E_RNA)
where:
Base-Base interactions energy: -240.431
where: short stacking energy: -94.941
Base-Backbone interact. energy: -0.273
local terms energy: -96.445185
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -20.112
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: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -328.549823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.549823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.549823 (E_RNA)
where:
Base-Base interactions energy: -216.883
where: short stacking energy: -94.700
Base-Backbone interact. energy: -0.942
local terms energy: -110.724912
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -297.754798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.754798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.754798 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -104.994
Base-Backbone interact. energy: -0.129
local terms energy: -109.253921
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -271.317332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.317332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.317332 (E_RNA)
where:
Base-Base interactions energy: -171.840
where: short stacking energy: -83.453
Base-Backbone interact. energy: -0.242
local terms energy: -99.234942
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -293.574421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.574421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.574421 (E_RNA)
where:
Base-Base interactions energy: -196.387
where: short stacking energy: -75.030
Base-Backbone interact. energy: 0.458
local terms energy: -97.645353
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -16.370
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: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -259.105360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.105360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.105360 (E_RNA)
where:
Base-Base interactions energy: -159.656
where: short stacking energy: -80.419
Base-Backbone interact. energy: -0.025
local terms energy: -99.423769
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -242.393150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.393150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.393150 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -73.585
Base-Backbone interact. energy: -0.486
local terms energy: -90.066755
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -126.352527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.352527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.352527 (E_RNA)
where:
Base-Base interactions energy: -50.887
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.390
local terms energy: -75.075525
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -7.415
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: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -186.072172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.072172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.072172 (E_RNA)
where:
Base-Base interactions energy: -116.335
where: short stacking energy: -46.194
Base-Backbone interact. energy: -0.305
local terms energy: -69.432846
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -2.355
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: 193
Temperature: 0.900000
Total energy: -363.425846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.425846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.425846 (E_RNA)
where:
Base-Base interactions energy: -257.042
where: short stacking energy: -99.342
Base-Backbone interact. energy: 0.863
local terms energy: -107.246401
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -332.180656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.180656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.180656 (E_RNA)
where:
Base-Base interactions energy: -228.978
where: short stacking energy: -87.461
Base-Backbone interact. energy: -0.259
local terms energy: -102.944001
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -325.453948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.453948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.453948 (E_RNA)
where:
Base-Base interactions energy: -213.527
where: short stacking energy: -96.310
Base-Backbone interact. energy: -0.047
local terms energy: -111.880140
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -14.029
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: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -303.855814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.855814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.855814 (E_RNA)
where:
Base-Base interactions energy: -197.627
where: short stacking energy: -92.266
Base-Backbone interact. energy: -0.129
local terms energy: -106.099319
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -293.651495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.651495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.651495 (E_RNA)
where:
Base-Base interactions energy: -194.196
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.420
local terms energy: -99.035483
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -19.717
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: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -277.491864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.491864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.491864 (E_RNA)
where:
Base-Base interactions energy: -175.511
where: short stacking energy: -82.296
Base-Backbone interact. energy: -0.056
local terms energy: -101.924542
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -267.200913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.200913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.200913 (E_RNA)
where:
Base-Base interactions energy: -183.620
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.533
local terms energy: -83.048284
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -219.977660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.977660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.977660 (E_RNA)
where:
Base-Base interactions energy: -146.605
where: short stacking energy: -70.701
Base-Backbone interact. energy: -0.035
local terms energy: -73.337266
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -109.116243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.116243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.116243 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -34.441
Base-Backbone interact. energy: -1.283
local terms energy: -72.783876
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -179.823941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823941 (E_RNA)
where:
Base-Base interactions energy: -97.235
where: short stacking energy: -43.792
Base-Backbone interact. energy: 1.512
local terms energy: -84.100931
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -2.922
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: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -345.208503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.208503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.208503 (E_RNA)
where:
Base-Base interactions energy: -236.923
where: short stacking energy: -83.950
Base-Backbone interact. energy: -0.582
local terms energy: -107.704188
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -326.408963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.408963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.408963 (E_RNA)
where:
Base-Base interactions energy: -224.124
where: short stacking energy: -96.028
Base-Backbone interact. energy: -0.294
local terms energy: -101.990435
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -17.021
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: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -316.130507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.130507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.130507 (E_RNA)
where:
Base-Base interactions energy: -209.318
where: short stacking energy: -98.152
Base-Backbone interact. energy: -0.091
local terms energy: -106.721914
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -22.041
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -314.546152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.546152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.546152 (E_RNA)
where:
Base-Base interactions energy: -220.675
where: short stacking energy: -91.556
Base-Backbone interact. energy: 0.285
local terms energy: -94.155955
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -9.197
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: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -266.388661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.388661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.388661 (E_RNA)
where:
Base-Base interactions energy: -167.572
where: short stacking energy: -86.339
Base-Backbone interact. energy: -0.102
local terms energy: -98.715433
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -22.622
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: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -289.585399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.585399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.585399 (E_RNA)
where:
Base-Base interactions energy: -194.615
where: short stacking energy: -75.140
Base-Backbone interact. energy: -0.408
local terms energy: -94.562348
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -16.374
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: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -251.902353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.902353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.902353 (E_RNA)
where:
Base-Base interactions energy: -163.059
where: short stacking energy: -70.039
Base-Backbone interact. energy: -1.051
local terms energy: -87.792085
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -235.195652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.195652 (E_RNA)
where:
Base-Base interactions energy: -149.794
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.618
local terms energy: -84.783443
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -220.470131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.470131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.470131 (E_RNA)
where:
Base-Base interactions energy: -124.985
where: short stacking energy: -66.811
Base-Backbone interact. energy: 0.810
local terms energy: -96.294680
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -111.113748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.113748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.113748 (E_RNA)
where:
Base-Base interactions energy: -50.107
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.847
local terms energy: -60.160288
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -351.541463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.541463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.541463 (E_RNA)
where:
Base-Base interactions energy: -249.720
where: short stacking energy: -100.531
Base-Backbone interact. energy: -0.486
local terms energy: -101.335411
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -15.580
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: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -319.162566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.162566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.162566 (E_RNA)
where:
Base-Base interactions energy: -202.705
where: short stacking energy: -101.631
Base-Backbone interact. energy: -0.121
local terms energy: -116.336239
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -314.100843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.100843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.100843 (E_RNA)
where:
Base-Base interactions energy: -210.934
where: short stacking energy: -83.771
Base-Backbone interact. energy: -0.198
local terms energy: -102.969318
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -19.435
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: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -322.598327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.598327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.598327 (E_RNA)
where:
Base-Base interactions energy: -218.620
where: short stacking energy: -78.838
Base-Backbone interact. energy: -1.399
local terms energy: -102.579169
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -272.560819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.560819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.560819 (E_RNA)
where:
Base-Base interactions energy: -177.309
where: short stacking energy: -83.411
Base-Backbone interact. energy: -0.238
local terms energy: -95.013783
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -21.244
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: 195
Temperature: 1.150000
Total energy: -260.990193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.990193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.990193 (E_RNA)
where:
Base-Base interactions energy: -162.854
where: short stacking energy: -86.641
Base-Backbone interact. energy: -1.037
local terms energy: -97.099665
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -13.066
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: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -276.979672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.979672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.979672 (E_RNA)
where:
Base-Base interactions energy: -176.952
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.140
local terms energy: -99.887393
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -239.471025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.471025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.471025 (E_RNA)
where:
Base-Base interactions energy: -159.562
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.274
local terms energy: -79.635143
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -188.357194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.357194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.357194 (E_RNA)
where:
Base-Base interactions energy: -104.318
where: short stacking energy: -47.626
Base-Backbone interact. energy: -0.196
local terms energy: -83.843853
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -24.411
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -115.284031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.284031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.284031 (E_RNA)
where:
Base-Base interactions energy: -43.021
where: short stacking energy: -43.621
Base-Backbone interact. energy: -0.346
local terms energy: -71.916987
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -11.919
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: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -350.018079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.018079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.018079 (E_RNA)
where:
Base-Base interactions energy: -239.898
where: short stacking energy: -92.584
Base-Backbone interact. energy: -0.850
local terms energy: -109.270181
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -21.853
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: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -296.938680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.938680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.938680 (E_RNA)
where:
Base-Base interactions energy: -180.960
where: short stacking energy: -93.160
Base-Backbone interact. energy: -0.851
local terms energy: -115.127536
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -333.619197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.619197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.619197 (E_RNA)
where:
Base-Base interactions energy: -226.284
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.404
local terms energy: -106.930320
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -26.045
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: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -326.608737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.608737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.608737 (E_RNA)
where:
Base-Base interactions energy: -217.237
where: short stacking energy: -98.850
Base-Backbone interact. energy: -0.578
local terms energy: -108.793863
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -273.046850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.046850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.046850 (E_RNA)
where:
Base-Base interactions energy: -180.840
where: short stacking energy: -84.785
Base-Backbone interact. energy: 1.402
local terms energy: -93.607955
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -256.044816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.044816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.044816 (E_RNA)
where:
Base-Base interactions energy: -171.354
where: short stacking energy: -82.307
Base-Backbone interact. energy: -0.408
local terms energy: -84.282999
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -258.079946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.079946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.079946 (E_RNA)
where:
Base-Base interactions energy: -170.764
where: short stacking energy: -69.832
Base-Backbone interact. energy: -1.006
local terms energy: -86.309814
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -21.556
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: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -236.073074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.073074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.073074 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.823
local terms energy: -80.291984
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -188.620086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.620086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.620086 (E_RNA)
where:
Base-Base interactions energy: -122.049
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.320
local terms energy: -66.250869
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -117.223265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.223265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.223265 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.324
local terms energy: -72.806912
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: 1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -360.234130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.234130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.234130 (E_RNA)
where:
Base-Base interactions energy: -245.594
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.609
local terms energy: -114.030949
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -343.764105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.764105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.764105 (E_RNA)
where:
Base-Base interactions energy: -225.741
where: short stacking energy: -92.532
Base-Backbone interact. energy: 0.740
local terms energy: -118.763768
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -287.100753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.100753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.100753 (E_RNA)
where:
Base-Base interactions energy: -172.090
where: short stacking energy: -92.001
Base-Backbone interact. energy: -0.632
local terms energy: -114.378941
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -24.340
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: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -312.226428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.226428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.226428 (E_RNA)
where:
Base-Base interactions energy: -204.779
where: short stacking energy: -91.659
Base-Backbone interact. energy: -0.355
local terms energy: -107.091572
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -274.402349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.402349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.402349 (E_RNA)
where:
Base-Base interactions energy: -169.628
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.087
local terms energy: -104.687337
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -254.131171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.131171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.131171 (E_RNA)
where:
Base-Base interactions energy: -162.358
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.211
local terms energy: -91.561500
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -231.871793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.871793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.871793 (E_RNA)
where:
Base-Base interactions energy: -151.812
where: short stacking energy: -66.920
Base-Backbone interact. energy: 0.361
local terms energy: -80.420440
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -209.090438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.090438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.090438 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -55.638
Base-Backbone interact. energy: 0.037
local terms energy: -87.163628
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -197.452372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.452372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.452372 (E_RNA)
where:
Base-Base interactions energy: -119.861
where: short stacking energy: -49.732
Base-Backbone interact. energy: 0.058
local terms energy: -77.649245
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -112.074910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.074910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.074910 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.150
local terms energy: -72.951044
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -351.440068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.440068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.440068 (E_RNA)
where:
Base-Base interactions energy: -246.406
where: short stacking energy: -95.605
Base-Backbone interact. energy: -0.841
local terms energy: -104.192927
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -25.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -358.034547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.034547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.034547 (E_RNA)
where:
Base-Base interactions energy: -245.125
where: short stacking energy: -101.080
Base-Backbone interact. energy: -0.199
local terms energy: -112.710127
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -17.560
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: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -326.933109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.933109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.933109 (E_RNA)
where:
Base-Base interactions energy: -219.487
where: short stacking energy: -101.564
Base-Backbone interact. energy: -0.420
local terms energy: -107.026414
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -26.946
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -279.711868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.711868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.711868 (E_RNA)
where:
Base-Base interactions energy: -177.940
where: short stacking energy: -89.902
Base-Backbone interact. energy: -0.086
local terms energy: -101.686595
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -287.125130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.125130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.125130 (E_RNA)
where:
Base-Base interactions energy: -182.453
where: short stacking energy: -68.322
Base-Backbone interact. energy: 0.435
local terms energy: -105.106639
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -23.290
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: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -262.458538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.458538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.458538 (E_RNA)
where:
Base-Base interactions energy: -174.708
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.608
local terms energy: -87.142597
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -215.277473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.277473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.277473 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -60.404
Base-Backbone interact. energy: -1.452
local terms energy: -88.731612
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -19.072
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: 198
Temperature: 1.250000
Total energy: -234.096205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.096205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.096205 (E_RNA)
where:
Base-Base interactions energy: -144.648
where: short stacking energy: -54.796
Base-Backbone interact. energy: -0.038
local terms energy: -89.409996
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -16.726
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: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -204.412249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.412249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.412249 (E_RNA)
where:
Base-Base interactions energy: -118.619
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.474
local terms energy: -85.319144
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -19.398
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: 198
Temperature: 1.350000
Total energy: -111.122930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.122930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.122930 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -39.414
Base-Backbone interact. energy: -0.258
local terms energy: -67.649958
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -360.537745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.537745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.537745 (E_RNA)
where:
Base-Base interactions energy: -246.255
where: short stacking energy: -107.981
Base-Backbone interact. energy: -0.739
local terms energy: -113.544457
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -26.400
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: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -350.800309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.800309 (E_RNA)
where:
Base-Base interactions energy: -232.588
where: short stacking energy: -102.143
Base-Backbone interact. energy: -0.296
local terms energy: -117.916215
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -16.291
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -329.681674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.681674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.681674 (E_RNA)
where:
Base-Base interactions energy: -219.187
where: short stacking energy: -104.428
Base-Backbone interact. energy: -0.281
local terms energy: -110.212709
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -294.156183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.156183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.156183 (E_RNA)
where:
Base-Base interactions energy: -182.889
where: short stacking energy: -92.706
Base-Backbone interact. energy: -0.060
local terms energy: -111.207386
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -18.014
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: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -282.055145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.055145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.055145 (E_RNA)
where:
Base-Base interactions energy: -191.642
where: short stacking energy: -66.569
Base-Backbone interact. energy: 0.315
local terms energy: -90.727252
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -265.060361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.060361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.060361 (E_RNA)
where:
Base-Base interactions energy: -172.974
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.903
local terms energy: -91.183142
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -200.412331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.412331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.412331 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.133
local terms energy: -71.795316
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -9.021
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -240.603327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.603327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.603327 (E_RNA)
where:
Base-Base interactions energy: -151.645
where: short stacking energy: -68.765
Base-Backbone interact. energy: 1.275
local terms energy: -90.233879
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -18.666
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -192.872091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.872091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.872091 (E_RNA)
where:
Base-Base interactions energy: -115.392
where: short stacking energy: -56.584
Base-Backbone interact. energy: -0.215
local terms energy: -77.264964
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -123.047195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.047195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.047195 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -23.037
Base-Backbone interact. energy: 0.891
local terms energy: -75.516746
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: 1.009
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: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -359.592916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.592916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.592916 (E_RNA)
where:
Base-Base interactions energy: -237.734
where: short stacking energy: -102.371
Base-Backbone interact. energy: -0.365
local terms energy: -121.493422
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -22.325
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: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -328.549559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.549559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.549559 (E_RNA)
where:
Base-Base interactions energy: -216.675
where: short stacking energy: -98.864
Base-Backbone interact. energy: 2.886
local terms energy: -114.760409
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -320.303668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.303668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.303668 (E_RNA)
where:
Base-Base interactions energy: -207.917
where: short stacking energy: -98.643
Base-Backbone interact. energy: -0.351
local terms energy: -112.035734
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -25.115
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: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -272.746815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.746815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.746815 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -85.271
Base-Backbone interact. energy: 0.250
local terms energy: -88.544612
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -13.077
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: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -265.558444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.558444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.558444 (E_RNA)
where:
Base-Base interactions energy: -176.187
where: short stacking energy: -82.718
Base-Backbone interact. energy: -0.631
local terms energy: -88.740555
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -257.790962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.790962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.790962 (E_RNA)
where:
Base-Base interactions energy: -167.563
where: short stacking energy: -75.363
Base-Backbone interact. energy: -0.427
local terms energy: -89.800764
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -256.072387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.072387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.072387 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.137
local terms energy: -88.468219
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -13.716
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: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -203.160771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.160771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.160771 (E_RNA)
where:
Base-Base interactions energy: -104.051
where: short stacking energy: -53.471
Base-Backbone interact. energy: -0.180
local terms energy: -98.929536
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -204.852269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.852269 (E_RNA)
where:
Base-Base interactions energy: -122.417
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.411
local terms energy: -82.024475
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -8.487
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -109.787525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.787525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.787525 (E_RNA)
where:
Base-Base interactions energy: -52.529
where: short stacking energy: -45.467
Base-Backbone interact. energy: -0.193
local terms energy: -57.065222
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -358.120239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.120239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.120239 (E_RNA)
where:
Base-Base interactions energy: -239.697
where: short stacking energy: -105.153
Base-Backbone interact. energy: -0.496
local terms energy: -117.927587
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -28.248
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: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -338.342274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.342274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.342274 (E_RNA)
where:
Base-Base interactions energy: -228.424
where: short stacking energy: -99.878
Base-Backbone interact. energy: -0.511
local terms energy: -109.406973
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -318.840780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.840780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.840780 (E_RNA)
where:
Base-Base interactions energy: -216.421
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.508
local terms energy: -101.912253
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -23.634
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: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -282.056337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.056337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.056337 (E_RNA)
where:
Base-Base interactions energy: -182.703
where: short stacking energy: -86.745
Base-Backbone interact. energy: -0.338
local terms energy: -99.015182
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -266.917387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.917387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.917387 (E_RNA)
where:
Base-Base interactions energy: -161.715
where: short stacking energy: -79.407
Base-Backbone interact. energy: 1.047
local terms energy: -106.249737
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -282.921321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.921321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.921321 (E_RNA)
where:
Base-Base interactions energy: -187.952
where: short stacking energy: -77.402
Base-Backbone interact. energy: 0.152
local terms energy: -95.120944
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -17.269
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: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -254.940450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.940450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.940450 (E_RNA)
where:
Base-Base interactions energy: -160.048
where: short stacking energy: -81.851
Base-Backbone interact. energy: 0.072
local terms energy: -94.964899
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -14.674
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -254.145290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.145290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.145290 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -75.790
Base-Backbone interact. energy: 2.363
local terms energy: -95.809971
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -14.867
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: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -196.786287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.786287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.786287 (E_RNA)
where:
Base-Base interactions energy: -108.546
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.170
local terms energy: -88.071126
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -108.478895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.478895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.478895 (E_RNA)
where:
Base-Base interactions energy: -50.187
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.491
local terms energy: -57.800399
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -7.192
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: 4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -363.780458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.780458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.780458 (E_RNA)
where:
Base-Base interactions energy: -240.947
where: short stacking energy: -112.620
Base-Backbone interact. energy: -0.640
local terms energy: -122.193609
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -27.905
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: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -334.647096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.647096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.647096 (E_RNA)
where:
Base-Base interactions energy: -222.362
where: short stacking energy: -95.580
Base-Backbone interact. energy: -0.113
local terms energy: -112.172056
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -28.898
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -321.901776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.901776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.901776 (E_RNA)
where:
Base-Base interactions energy: -218.405
where: short stacking energy: -82.309
Base-Backbone interact. energy: -1.294
local terms energy: -102.203217
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -20.480
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -308.529450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.529450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.529450 (E_RNA)
where:
Base-Base interactions energy: -209.482
where: short stacking energy: -95.888
Base-Backbone interact. energy: -0.495
local terms energy: -98.552067
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -287.175227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.175227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.175227 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -92.979
Base-Backbone interact. energy: -0.024
local terms energy: -105.519807
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -29.148
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: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -264.039806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.039806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.039806 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.052
local terms energy: -104.457032
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -253.266848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.266848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.266848 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -68.989
Base-Backbone interact. energy: -1.260
local terms energy: -94.566746
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -14.823
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: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -246.713074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.713074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.713074 (E_RNA)
where:
Base-Base interactions energy: -162.272
where: short stacking energy: -76.617
Base-Backbone interact. energy: 0.394
local terms energy: -84.834511
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -16.118
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: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -204.688208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.688208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.688208 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.294
local terms energy: -76.885036
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -108.222737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.222737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.222737 (E_RNA)
where:
Base-Base interactions energy: -52.860
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.544
local terms energy: -54.818842
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -351.378778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.378778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.378778 (E_RNA)
where:
Base-Base interactions energy: -237.864
where: short stacking energy: -94.076
Base-Backbone interact. energy: 0.952
local terms energy: -114.466423
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -337.406515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.406515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.406515 (E_RNA)
where:
Base-Base interactions energy: -240.660
where: short stacking energy: -90.059
Base-Backbone interact. energy: -1.072
local terms energy: -95.674936
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -319.011292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.011292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.011292 (E_RNA)
where:
Base-Base interactions energy: -219.042
where: short stacking energy: -87.050
Base-Backbone interact. energy: -0.849
local terms energy: -99.120655
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -305.106516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.106516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.106516 (E_RNA)
where:
Base-Base interactions energy: -199.851
where: short stacking energy: -89.962
Base-Backbone interact. energy: -0.178
local terms energy: -105.077271
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -283.223104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.223104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.223104 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -85.878
Base-Backbone interact. energy: -0.212
local terms energy: -106.734152
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -22.212
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -268.807577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.807577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.807577 (E_RNA)
where:
Base-Base interactions energy: -176.065
where: short stacking energy: -82.640
Base-Backbone interact. energy: -0.592
local terms energy: -92.150682
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -21.613
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: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -268.602485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.602485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.602485 (E_RNA)
where:
Base-Base interactions energy: -170.097
where: short stacking energy: -90.826
Base-Backbone interact. energy: -0.007
local terms energy: -98.498727
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -25.897
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -247.811779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.811779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.811779 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -71.596
Base-Backbone interact. energy: 2.021
local terms energy: -87.632447
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -218.487704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.487704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.487704 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -52.494
Base-Backbone interact. energy: -0.968
local terms energy: -72.406331
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -124.702297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.702297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.702297 (E_RNA)
where:
Base-Base interactions energy: -49.849
where: short stacking energy: -49.849
Base-Backbone interact. energy: 0.614
local terms energy: -75.466536
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -342.855999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.855999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.855999 (E_RNA)
where:
Base-Base interactions energy: -230.669
where: short stacking energy: -93.187
Base-Backbone interact. energy: -2.666
local terms energy: -109.520564
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -22.270
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: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -347.752248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.752248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.752248 (E_RNA)
where:
Base-Base interactions energy: -241.379
where: short stacking energy: -96.241
Base-Backbone interact. energy: 2.019
local terms energy: -108.392004
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -315.876238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.876238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.876238 (E_RNA)
where:
Base-Base interactions energy: -206.893
where: short stacking energy: -87.883
Base-Backbone interact. energy: -0.271
local terms energy: -108.712879
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -290.315333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.315333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.315333 (E_RNA)
where:
Base-Base interactions energy: -189.087
where: short stacking energy: -83.406
Base-Backbone interact. energy: -0.197
local terms energy: -101.031433
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -270.593142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.593142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.593142 (E_RNA)
where:
Base-Base interactions energy: -176.031
where: short stacking energy: -79.479
Base-Backbone interact. energy: -0.040
local terms energy: -94.522000
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -274.494468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.494468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.494468 (E_RNA)
where:
Base-Base interactions energy: -179.667
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.354
local terms energy: -94.473508
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -11.762
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -253.074313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.074313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.074313 (E_RNA)
where:
Base-Base interactions energy: -168.516
where: short stacking energy: -84.166
Base-Backbone interact. energy: -0.188
local terms energy: -84.370208
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.905
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: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -231.516600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516600 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -56.937
Base-Backbone interact. energy: 1.083
local terms energy: -85.326635
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -199.946519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.946519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.946519 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -69.463
Base-Backbone interact. energy: -0.360
local terms energy: -73.069847
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -109.172546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.172546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.172546 (E_RNA)
where:
Base-Base interactions energy: -46.429
where: short stacking energy: -38.862
Base-Backbone interact. energy: 0.239
local terms energy: -62.982581
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -333.214024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.214024 (E_RNA)
where:
Base-Base interactions energy: -230.796
where: short stacking energy: -87.123
Base-Backbone interact. energy: -0.045
local terms energy: -102.373317
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -329.584824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.584824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.584824 (E_RNA)
where:
Base-Base interactions energy: -219.033
where: short stacking energy: -93.217
Base-Backbone interact. energy: -1.419
local terms energy: -109.132211
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.053
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: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -333.365942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.365942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.365942 (E_RNA)
where:
Base-Base interactions energy: -223.820
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.188
local terms energy: -109.357663
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -28.064
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: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -271.773996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.773996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.773996 (E_RNA)
where:
Base-Base interactions energy: -173.429
where: short stacking energy: -84.375
Base-Backbone interact. energy: -0.088
local terms energy: -98.256643
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -22.372
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: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -279.877737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.877737 (E_RNA)
where:
Base-Base interactions energy: -173.616
where: short stacking energy: -83.313
Base-Backbone interact. energy: -0.398
local terms energy: -105.864165
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -288.533180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.533180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.533180 (E_RNA)
where:
Base-Base interactions energy: -185.786
where: short stacking energy: -96.214
Base-Backbone interact. energy: -0.007
local terms energy: -102.740502
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -29.533
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: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -256.196836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.196836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.196836 (E_RNA)
where:
Base-Base interactions energy: -165.347
where: short stacking energy: -80.415
Base-Backbone interact. energy: 1.231
local terms energy: -92.081444
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -245.668343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.668343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.668343 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -67.942
Base-Backbone interact. energy: -0.704
local terms energy: -90.608632
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -11.109
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: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -194.546098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546098 (E_RNA)
where:
Base-Base interactions energy: -119.830
where: short stacking energy: -49.532
Base-Backbone interact. energy: -0.361
local terms energy: -74.354278
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -2.790
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -110.345151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.345151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.345151 (E_RNA)
where:
Base-Base interactions energy: -39.828
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.394
local terms energy: -70.123050
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -342.586183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.586183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.586183 (E_RNA)
where:
Base-Base interactions energy: -229.953
where: short stacking energy: -100.626
Base-Backbone interact. energy: -0.864
local terms energy: -111.769219
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -327.258780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.258780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.258780 (E_RNA)
where:
Base-Base interactions energy: -225.129
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.535
local terms energy: -101.595077
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -339.270263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.270263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.270263 (E_RNA)
where:
Base-Base interactions energy: -235.906
where: short stacking energy: -91.314
Base-Backbone interact. energy: -0.392
local terms energy: -102.972790
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -23.382
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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -287.936177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.936177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.936177 (E_RNA)
where:
Base-Base interactions energy: -177.691
where: short stacking energy: -91.811
Base-Backbone interact. energy: -0.105
local terms energy: -110.140423
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -283.388086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.388086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.388086 (E_RNA)
where:
Base-Base interactions energy: -189.689
where: short stacking energy: -85.980
Base-Backbone interact. energy: -0.116
local terms energy: -93.582656
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -7.745
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: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -264.202976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.202976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.202976 (E_RNA)
where:
Base-Base interactions energy: -163.491
where: short stacking energy: -81.526
Base-Backbone interact. energy: -0.346
local terms energy: -100.365998
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -17.530
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -252.935315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.935315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.935315 (E_RNA)
where:
Base-Base interactions energy: -152.635
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.362
local terms energy: -99.938142
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -253.843669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.843669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.843669 (E_RNA)
where:
Base-Base interactions energy: -165.721
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.841
local terms energy: -87.281604
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -14.004
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: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -224.324937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.324937 (E_RNA)
where:
Base-Base interactions energy: -141.434
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.328
local terms energy: -82.562536
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -112.773435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.773435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.773435 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -29.741
Base-Backbone interact. energy: 1.238
local terms energy: -68.805156
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -354.163395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.163395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.163395 (E_RNA)
where:
Base-Base interactions energy: -235.303
where: short stacking energy: -99.382
Base-Backbone interact. energy: 0.285
local terms energy: -119.145217
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -365.084048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.084048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.084048 (E_RNA)
where:
Base-Base interactions energy: -252.658
where: short stacking energy: -97.234
Base-Backbone interact. energy: -0.892
local terms energy: -111.534149
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -25.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -309.060635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.060635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.060635 (E_RNA)
where:
Base-Base interactions energy: -213.726
where: short stacking energy: -77.356
Base-Backbone interact. energy: -1.238
local terms energy: -94.097102
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -281.608631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.608631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.608631 (E_RNA)
where:
Base-Base interactions energy: -179.632
where: short stacking energy: -84.527
Base-Backbone interact. energy: -0.218
local terms energy: -101.758058
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -16.578
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: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -269.750159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.750159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.750159 (E_RNA)
where:
Base-Base interactions energy: -174.993
where: short stacking energy: -87.090
Base-Backbone interact. energy: -0.813
local terms energy: -93.943674
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -13.334
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: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -264.893844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.893844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.893844 (E_RNA)
where:
Base-Base interactions energy: -174.507
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.150
local terms energy: -90.236774
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -18.747
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: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -252.247695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.247695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.247695 (E_RNA)
where:
Base-Base interactions energy: -153.789
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.636
local terms energy: -97.823459
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -11.657
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: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -233.565596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.565596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.565596 (E_RNA)
where:
Base-Base interactions energy: -145.024
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.217
local terms energy: -88.324994
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -10.895
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: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -257.296254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.296254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.296254 (E_RNA)
where:
Base-Base interactions energy: -175.226
where: short stacking energy: -80.753
Base-Backbone interact. energy: 2.114
local terms energy: -84.184497
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -118.856518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.856518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.856518 (E_RNA)
where:
Base-Base interactions energy: -36.591
where: short stacking energy: -35.831
Base-Backbone interact. energy: 1.750
local terms energy: -84.015079
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -362.068969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.068969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.068969 (E_RNA)
where:
Base-Base interactions energy: -243.855
where: short stacking energy: -95.628
Base-Backbone interact. energy: 0.071
local terms energy: -118.285289
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -26.081
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -336.383165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.383165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.383165 (E_RNA)
where:
Base-Base interactions energy: -238.457
where: short stacking energy: -97.343
Base-Backbone interact. energy: -0.169
local terms energy: -97.757759
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -18.674
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: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -301.792601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.792601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.792601 (E_RNA)
where:
Base-Base interactions energy: -197.316
where: short stacking energy: -81.354
Base-Backbone interact. energy: -0.959
local terms energy: -103.517082
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -277.316816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.316816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.316816 (E_RNA)
where:
Base-Base interactions energy: -184.773
where: short stacking energy: -91.847
Base-Backbone interact. energy: -0.193
local terms energy: -92.351528
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -17.980
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -260.930071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.930071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.930071 (E_RNA)
where:
Base-Base interactions energy: -160.203
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.178
local terms energy: -100.549750
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -20.416
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: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -271.289275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.289275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.289275 (E_RNA)
where:
Base-Base interactions energy: -173.373
where: short stacking energy: -86.859
Base-Backbone interact. energy: -0.103
local terms energy: -97.813593
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -239.271331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.271331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.271331 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.349
local terms energy: -97.037276
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -241.220346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.220346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.220346 (E_RNA)
where:
Base-Base interactions energy: -160.219
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.033
local terms energy: -80.968824
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -13.934
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: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -200.635831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.635831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.635831 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -62.862
Base-Backbone interact. energy: -1.125
local terms energy: -85.989381
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -13.467
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: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -107.417192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.417192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.417192 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -25.506
Base-Backbone interact. energy: -0.077
local terms energy: -77.853622
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -362.191259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.191259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.191259 (E_RNA)
where:
Base-Base interactions energy: -247.534
where: short stacking energy: -96.750
Base-Backbone interact. energy: -0.016
local terms energy: -114.641149
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -335.834882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.834882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.834882 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -102.659
Base-Backbone interact. energy: -0.079
local terms energy: -110.433335
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -312.622005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.622005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.622005 (E_RNA)
where:
Base-Base interactions energy: -199.789
where: short stacking energy: -87.008
Base-Backbone interact. energy: -0.702
local terms energy: -112.131407
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -285.659010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.659010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.659010 (E_RNA)
where:
Base-Base interactions energy: -187.297
where: short stacking energy: -85.217
Base-Backbone interact. energy: 0.373
local terms energy: -98.734944
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -278.241170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.241170 (E_RNA)
where:
Base-Base interactions energy: -175.973
where: short stacking energy: -77.003
Base-Backbone interact. energy: 1.577
local terms energy: -103.845117
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -9.105
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -258.976045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.976045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.976045 (E_RNA)
where:
Base-Base interactions energy: -172.052
where: short stacking energy: -80.936
Base-Backbone interact. energy: 0.397
local terms energy: -87.320951
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -253.102440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.102440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.102440 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.209
local terms energy: -95.742403
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -14.894
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -206.381617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.381617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.381617 (E_RNA)
where:
Base-Base interactions energy: -128.018
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.030
local terms energy: -78.333525
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -9.141
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: 209
Temperature: 1.300000
Total energy: -198.982989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.982989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.982989 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -55.246
Base-Backbone interact. energy: 0.231
local terms energy: -79.291770
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.797
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -118.288950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.288950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.288950 (E_RNA)
where:
Base-Base interactions energy: -37.290
where: short stacking energy: -35.388
Base-Backbone interact. energy: 0.281
local terms energy: -81.280054
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -8.620
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: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -344.576433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.576433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.576433 (E_RNA)
where:
Base-Base interactions energy: -221.232
where: short stacking energy: -95.989
Base-Backbone interact. energy: -0.413
local terms energy: -122.931425
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -31.698
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: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -344.790148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.790148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.790148 (E_RNA)
where:
Base-Base interactions energy: -230.066
where: short stacking energy: -105.108
Base-Backbone interact. energy: 0.490
local terms energy: -115.214689
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -29.939
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: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -300.549998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.549998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.549998 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.109
local terms energy: -101.247961
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -277.362980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.362980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.362980 (E_RNA)
where:
Base-Base interactions energy: -179.960
where: short stacking energy: -91.639
Base-Backbone interact. energy: -0.159
local terms energy: -97.243467
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -273.768600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.768600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.768600 (E_RNA)
where:
Base-Base interactions energy: -185.534
where: short stacking energy: -82.870
Base-Backbone interact. energy: -0.373
local terms energy: -87.861801
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -23.891
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: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -254.213396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.213396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.213396 (E_RNA)
where:
Base-Base interactions energy: -168.174
where: short stacking energy: -75.588
Base-Backbone interact. energy: -0.057
local terms energy: -85.982880
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -273.078602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.078602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.078602 (E_RNA)
where:
Base-Base interactions energy: -186.847
where: short stacking energy: -94.190
Base-Backbone interact. energy: 3.381
local terms energy: -89.613065
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -199.819508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.819508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.819508 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.430
local terms energy: -76.762097
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -208.152639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.152639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.152639 (E_RNA)
where:
Base-Base interactions energy: -130.681
where: short stacking energy: -56.344
Base-Backbone interact. energy: -0.594
local terms energy: -76.878000
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -4.847
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: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -101.218487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218487 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -36.058
Base-Backbone interact. energy: 0.487
local terms energy: -65.346949
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -356.340832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.340832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.340832 (E_RNA)
where:
Base-Base interactions energy: -240.756
where: short stacking energy: -107.964
Base-Backbone interact. energy: 0.423
local terms energy: -116.007528
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -25.939
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: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -349.929223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.929223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.929223 (E_RNA)
where:
Base-Base interactions energy: -245.681
where: short stacking energy: -110.646
Base-Backbone interact. energy: -0.181
local terms energy: -104.067510
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -30.571
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: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -286.194538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.194538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.194538 (E_RNA)
where:
Base-Base interactions energy: -187.805
where: short stacking energy: -83.747
Base-Backbone interact. energy: -0.215
local terms energy: -98.174169
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -20.156
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: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -287.339533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.339533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.339533 (E_RNA)
where:
Base-Base interactions energy: -181.020
where: short stacking energy: -82.443
Base-Backbone interact. energy: -0.807
local terms energy: -105.511743
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -15.497
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: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -285.556287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.556287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.556287 (E_RNA)
where:
Base-Base interactions energy: -188.155
where: short stacking energy: -86.194
Base-Backbone interact. energy: -1.270
local terms energy: -96.130906
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -268.682742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.682742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.682742 (E_RNA)
where:
Base-Base interactions energy: -166.451
where: short stacking energy: -77.123
Base-Backbone interact. energy: 0.320
local terms energy: -102.551667
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -13.122
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: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -252.251595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.251595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.251595 (E_RNA)
where:
Base-Base interactions energy: -153.080
where: short stacking energy: -71.362
Base-Backbone interact. energy: -0.177
local terms energy: -98.994956
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -242.078971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.078971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.078971 (E_RNA)
where:
Base-Base interactions energy: -159.549
where: short stacking energy: -67.051
Base-Backbone interact. energy: -0.604
local terms energy: -81.926057
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -15.784
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: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -196.473717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.473717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.473717 (E_RNA)
where:
Base-Base interactions energy: -113.799
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.030
local terms energy: -82.644263
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -14.490
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -106.055769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.055769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.055769 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -34.289
Base-Backbone interact. energy: -0.243
local terms energy: -70.837384
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -358.656353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.656353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.656353 (E_RNA)
where:
Base-Base interactions energy: -229.820
where: short stacking energy: -109.049
Base-Backbone interact. energy: -0.620
local terms energy: -128.216407
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -36.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -341.511715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.511715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.511715 (E_RNA)
where:
Base-Base interactions energy: -235.913
where: short stacking energy: -90.237
Base-Backbone interact. energy: -0.485
local terms energy: -105.112853
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -286.804580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.804580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.804580 (E_RNA)
where:
Base-Base interactions energy: -191.424
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.821
local terms energy: -94.559992
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -290.462583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.462583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.462583 (E_RNA)
where:
Base-Base interactions energy: -186.940
where: short stacking energy: -84.133
Base-Backbone interact. energy: 0.366
local terms energy: -103.889169
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -14.226
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -291.607036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.607036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.607036 (E_RNA)
where:
Base-Base interactions energy: -195.042
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.233
local terms energy: -96.331215
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -273.777914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.777914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.777914 (E_RNA)
where:
Base-Base interactions energy: -174.817
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.297
local terms energy: -98.663493
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -258.080034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.080034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.080034 (E_RNA)
where:
Base-Base interactions energy: -181.675
where: short stacking energy: -84.875
Base-Backbone interact. energy: -0.023
local terms energy: -76.382035
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -249.655830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.655830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.655830 (E_RNA)
where:
Base-Base interactions energy: -163.315
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.214
local terms energy: -86.127436
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -244.393583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.393583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.393583 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -59.582
Base-Backbone interact. energy: 1.035
local terms energy: -91.157612
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -109.783895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.783895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.783895 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.159
local terms energy: -68.710615
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -350.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.163454 (E_RNA)
where:
Base-Base interactions energy: -241.525
where: short stacking energy: -96.840
Base-Backbone interact. energy: -0.780
local terms energy: -107.858272
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -346.437860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.437860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.437860 (E_RNA)
where:
Base-Base interactions energy: -238.751
where: short stacking energy: -106.131
Base-Backbone interact. energy: -0.971
local terms energy: -106.715519
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -307.664317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.664317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.664317 (E_RNA)
where:
Base-Base interactions energy: -205.337
where: short stacking energy: -99.341
Base-Backbone interact. energy: -0.752
local terms energy: -101.574712
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -282.906746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.906746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.906746 (E_RNA)
where:
Base-Base interactions energy: -178.860
where: short stacking energy: -92.623
Base-Backbone interact. energy: -0.804
local terms energy: -103.242295
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -288.781948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.781948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.781948 (E_RNA)
where:
Base-Base interactions energy: -179.049
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.245
local terms energy: -109.487317
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -20.815
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -285.828705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.828705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.828705 (E_RNA)
where:
Base-Base interactions energy: -181.949
where: short stacking energy: -82.689
Base-Backbone interact. energy: 2.343
local terms energy: -106.222457
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -26.433
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: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -274.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.453191 (E_RNA)
where:
Base-Base interactions energy: -171.041
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.991
local terms energy: -102.421165
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -242.093633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.093633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.093633 (E_RNA)
where:
Base-Base interactions energy: -149.624
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.375
local terms energy: -92.094977
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -16.595
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: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -224.496770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.496770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.496770 (E_RNA)
where:
Base-Base interactions energy: -136.742
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.068
local terms energy: -87.686797
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -105.015819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.015819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.015819 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.492
local terms energy: -67.666115
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -353.634850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.634850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.634850 (E_RNA)
where:
Base-Base interactions energy: -247.306
where: short stacking energy: -102.826
Base-Backbone interact. energy: -0.332
local terms energy: -105.996815
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -338.497107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.497107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.497107 (E_RNA)
where:
Base-Base interactions energy: -227.194
where: short stacking energy: -102.058
Base-Backbone interact. energy: -0.922
local terms energy: -110.380643
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -30.174
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -283.592265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.592265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.592265 (E_RNA)
where:
Base-Base interactions energy: -183.765
where: short stacking energy: -87.730
Base-Backbone interact. energy: -0.985
local terms energy: -98.842410
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -274.226051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.226051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.226051 (E_RNA)
where:
Base-Base interactions energy: -178.049
where: short stacking energy: -80.684
Base-Backbone interact. energy: -0.122
local terms energy: -96.055454
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -21.643
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: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -252.362219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.362219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.362219 (E_RNA)
where:
Base-Base interactions energy: -153.303
where: short stacking energy: -72.851
Base-Backbone interact. energy: 0.245
local terms energy: -99.304070
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -279.323612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.323612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.323612 (E_RNA)
where:
Base-Base interactions energy: -190.916
where: short stacking energy: -81.871
Base-Backbone interact. energy: -0.317
local terms energy: -88.091395
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -22.034
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: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -249.652286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.652286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.652286 (E_RNA)
where:
Base-Base interactions energy: -164.236
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.088
local terms energy: -85.328247
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -266.274887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.274887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.274887 (E_RNA)
where:
Base-Base interactions energy: -170.337
where: short stacking energy: -84.764
Base-Backbone interact. energy: 0.313
local terms energy: -96.250189
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -22.630
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: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -192.233409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233409 (E_RNA)
where:
Base-Base interactions energy: -114.761
where: short stacking energy: -55.122
Base-Backbone interact. energy: 1.874
local terms energy: -79.346704
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -18.445
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: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -114.772430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.772430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.772430 (E_RNA)
where:
Base-Base interactions energy: -48.905
where: short stacking energy: -39.138
Base-Backbone interact. energy: 2.961
local terms energy: -68.828302
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -353.321574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.321574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.321574 (E_RNA)
where:
Base-Base interactions energy: -234.892
where: short stacking energy: -106.313
Base-Backbone interact. energy: 0.589
local terms energy: -119.018912
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -30.748
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: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -349.616187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.616187 (E_RNA)
where:
Base-Base interactions energy: -244.279
where: short stacking energy: -102.104
Base-Backbone interact. energy: -0.452
local terms energy: -104.885098
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -284.383735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.383735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.383735 (E_RNA)
where:
Base-Base interactions energy: -182.755
where: short stacking energy: -89.331
Base-Backbone interact. energy: -0.199
local terms energy: -101.429685
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -18.666
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: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -295.442902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.442902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.442902 (E_RNA)
where:
Base-Base interactions energy: -195.356
where: short stacking energy: -86.577
Base-Backbone interact. energy: -0.057
local terms energy: -100.030103
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -267.733512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.733512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.733512 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -74.849
Base-Backbone interact. energy: 0.641
local terms energy: -97.717427
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -274.055940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.055940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.055940 (E_RNA)
where:
Base-Base interactions energy: -176.099
where: short stacking energy: -75.570
Base-Backbone interact. energy: -0.637
local terms energy: -97.319618
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -17.583
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: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -256.244164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.244164 (E_RNA)
where:
Base-Base interactions energy: -171.324
where: short stacking energy: -74.122
Base-Backbone interact. energy: -0.101
local terms energy: -84.819135
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -21.488
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: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -216.364379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.364379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.364379 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.303
local terms energy: -91.314237
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -16.539
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: 215
Temperature: 1.300000
Total energy: -212.396896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.396896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396896 (E_RNA)
where:
Base-Base interactions energy: -131.649
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.236
local terms energy: -80.511992
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -106.620333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.620333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.620333 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -34.595
Base-Backbone interact. energy: -0.159
local terms energy: -68.125502
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -359.243866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.243866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.243866 (E_RNA)
where:
Base-Base interactions energy: -244.589
where: short stacking energy: -105.027
Base-Backbone interact. energy: -0.552
local terms energy: -114.102254
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -28.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -339.608309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.608309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.608309 (E_RNA)
where:
Base-Base interactions energy: -227.958
where: short stacking energy: -94.111
Base-Backbone interact. energy: -0.653
local terms energy: -110.996783
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -305.714627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.714627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.714627 (E_RNA)
where:
Base-Base interactions energy: -201.659
where: short stacking energy: -100.228
Base-Backbone interact. energy: -0.424
local terms energy: -103.632382
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -270.159892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.159892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.159892 (E_RNA)
where:
Base-Base interactions energy: -174.124
where: short stacking energy: -84.171
Base-Backbone interact. energy: -0.112
local terms energy: -95.923944
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -13.674
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: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -297.817334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.817334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.817334 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -90.453
Base-Backbone interact. energy: -0.261
local terms energy: -105.977466
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -25.502
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: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -240.100883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.100883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.100883 (E_RNA)
where:
Base-Base interactions energy: -146.706
where: short stacking energy: -81.049
Base-Backbone interact. energy: -0.126
local terms energy: -93.268526
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -223.501854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.501854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.501854 (E_RNA)
where:
Base-Base interactions energy: -139.939
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.201
local terms energy: -83.362556
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -232.143163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.143163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.143163 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -69.197
Base-Backbone interact. energy: 0.079
local terms energy: -85.026404
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -233.540983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.540983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.540983 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.238
local terms energy: -85.167287
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -13.356
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: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -110.624082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.624082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.624082 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.185
local terms energy: -72.641198
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -359.769284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.769284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.769284 (E_RNA)
where:
Base-Base interactions energy: -246.567
where: short stacking energy: -110.332
Base-Backbone interact. energy: -0.198
local terms energy: -113.004351
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -342.859498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.859498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.859498 (E_RNA)
where:
Base-Base interactions energy: -230.953
where: short stacking energy: -99.628
Base-Backbone interact. energy: -0.463
local terms energy: -111.443364
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -28.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -300.217393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.217393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.217393 (E_RNA)
where:
Base-Base interactions energy: -193.299
where: short stacking energy: -103.863
Base-Backbone interact. energy: -0.138
local terms energy: -106.779988
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -30.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -288.143949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.143949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.143949 (E_RNA)
where:
Base-Base interactions energy: -176.774
where: short stacking energy: -88.465
Base-Backbone interact. energy: -0.199
local terms energy: -111.170777
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -275.293355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.293355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.293355 (E_RNA)
where:
Base-Base interactions energy: -180.664
where: short stacking energy: -93.824
Base-Backbone interact. energy: -0.138
local terms energy: -94.491156
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -266.011477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.011477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.011477 (E_RNA)
where:
Base-Base interactions energy: -163.389
where: short stacking energy: -82.914
Base-Backbone interact. energy: 0.328
local terms energy: -102.950190
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -264.316886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.316886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.316886 (E_RNA)
where:
Base-Base interactions energy: -161.670
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.181
local terms energy: -102.466590
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -249.539584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.539584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.539584 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.010
local terms energy: -94.276339
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -18.282
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: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -244.026725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.026725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.026725 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -63.040
Base-Backbone interact. energy: -0.506
local terms energy: -87.748925
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -132.330511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.330511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.330511 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -45.449
Base-Backbone interact. energy: 1.253
local terms energy: -77.028203
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -350.665698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.665698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.665698 (E_RNA)
where:
Base-Base interactions energy: -234.254
where: short stacking energy: -102.260
Base-Backbone interact. energy: 0.186
local terms energy: -116.597641
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -26.400
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: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -340.194371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.194371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.194371 (E_RNA)
where:
Base-Base interactions energy: -228.218
where: short stacking energy: -89.584
Base-Backbone interact. energy: 0.343
local terms energy: -112.319369
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -11.863
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -287.015031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.015031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.015031 (E_RNA)
where:
Base-Base interactions energy: -181.852
where: short stacking energy: -89.352
Base-Backbone interact. energy: -0.185
local terms energy: -104.978137
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -30.950
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -301.870562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.870562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.870562 (E_RNA)
where:
Base-Base interactions energy: -182.654
where: short stacking energy: -97.324
Base-Backbone interact. energy: 0.662
local terms energy: -119.878281
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -29.660
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: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -272.606242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.606242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.606242 (E_RNA)
where:
Base-Base interactions energy: -172.106
where: short stacking energy: -76.408
Base-Backbone interact. energy: -1.097
local terms energy: -99.402734
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -20.934
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: 218
Temperature: 1.150000
Total energy: -279.727148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.727148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.727148 (E_RNA)
where:
Base-Base interactions energy: -191.553
where: short stacking energy: -70.190
Base-Backbone interact. energy: -0.219
local terms energy: -87.954704
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -15.177
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: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -254.990578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.990578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.990578 (E_RNA)
where:
Base-Base interactions energy: -166.598
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.063
local terms energy: -88.329693
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -244.884406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.884406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.884406 (E_RNA)
where:
Base-Base interactions energy: -156.745
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.465
local terms energy: -87.673638
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -11.901
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: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -244.184144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.184144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.184144 (E_RNA)
where:
Base-Base interactions energy: -159.766
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.073
local terms energy: -84.344563
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -13.475
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -115.634723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.634723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.634723 (E_RNA)
where:
Base-Base interactions energy: -44.913
where: short stacking energy: -42.101
Base-Backbone interact. energy: -0.064
local terms energy: -70.657582
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -1.767
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -346.382514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.382514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.382514 (E_RNA)
where:
Base-Base interactions energy: -230.443
where: short stacking energy: -99.601
Base-Backbone interact. energy: -0.276
local terms energy: -115.662827
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -27.368
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: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -327.943076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.943076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.943076 (E_RNA)
where:
Base-Base interactions energy: -225.692
where: short stacking energy: -91.801
Base-Backbone interact. energy: 0.296
local terms energy: -102.546969
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -22.251
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: 219
Temperature: 1.000000
Total energy: -297.179050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.179050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.179050 (E_RNA)
where:
Base-Base interactions energy: -191.947
where: short stacking energy: -91.733
Base-Backbone interact. energy: -0.122
local terms energy: -105.110078
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -267.300774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.300774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.300774 (E_RNA)
where:
Base-Base interactions energy: -169.610
where: short stacking energy: -85.553
Base-Backbone interact. energy: -0.132
local terms energy: -97.558510
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -278.017303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.017303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.017303 (E_RNA)
where:
Base-Base interactions energy: -190.556
where: short stacking energy: -86.368
Base-Backbone interact. energy: -0.633
local terms energy: -86.828467
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -14.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -279.376324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.376324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.376324 (E_RNA)
where:
Base-Base interactions energy: -177.302
where: short stacking energy: -89.771
Base-Backbone interact. energy: -0.398
local terms energy: -101.676275
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -254.451557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.451557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.451557 (E_RNA)
where:
Base-Base interactions energy: -152.885
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.191
local terms energy: -101.375932
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -257.923334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.923334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.923334 (E_RNA)
where:
Base-Base interactions energy: -166.740
where: short stacking energy: -74.632
Base-Backbone interact. energy: -0.651
local terms energy: -90.531562
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -18.026
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -228.395560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.395560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.395560 (E_RNA)
where:
Base-Base interactions energy: -153.137
where: short stacking energy: -62.828
Base-Backbone interact. energy: -0.636
local terms energy: -74.622493
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -12.790
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -106.399651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.399651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.399651 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.070
local terms energy: -70.311904
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -334.050372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.050372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.050372 (E_RNA)
where:
Base-Base interactions energy: -229.594
where: short stacking energy: -106.265
Base-Backbone interact. energy: 0.265
local terms energy: -104.721717
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -26.617
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: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -338.350562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.350562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.350562 (E_RNA)
where:
Base-Base interactions energy: -227.544
where: short stacking energy: -97.652
Base-Backbone interact. energy: -0.297
local terms energy: -110.510199
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -321.840631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.840631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.840631 (E_RNA)
where:
Base-Base interactions energy: -203.960
where: short stacking energy: -100.643
Base-Backbone interact. energy: -0.513
local terms energy: -117.367143
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -274.733654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.733654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.733654 (E_RNA)
where:
Base-Base interactions energy: -169.125
where: short stacking energy: -81.895
Base-Backbone interact. energy: -0.431
local terms energy: -105.178268
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -22.727
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: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -277.099411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.099411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.099411 (E_RNA)
where:
Base-Base interactions energy: -174.914
where: short stacking energy: -76.605
Base-Backbone interact. energy: 0.004
local terms energy: -102.189609
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -12.032
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: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -268.327838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.327838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.327838 (E_RNA)
where:
Base-Base interactions energy: -185.686
where: short stacking energy: -79.193
Base-Backbone interact. energy: 2.803
local terms energy: -85.444708
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -259.923331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.923331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.923331 (E_RNA)
where:
Base-Base interactions energy: -175.085
where: short stacking energy: -82.071
Base-Backbone interact. energy: 0.783
local terms energy: -85.621648
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -13.070
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: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -251.044482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.044482 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -76.486
Base-Backbone interact. energy: -0.366
local terms energy: -89.980693
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -224.582473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.582473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582473 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.319
local terms energy: -81.092555
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -111.495429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.495429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.495429 (E_RNA)
where:
Base-Base interactions energy: -45.105
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.728
local terms energy: -65.662773
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -340.253161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.253161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.253161 (E_RNA)
where:
Base-Base interactions energy: -229.974
where: short stacking energy: -103.848
Base-Backbone interact. energy: 0.678
local terms energy: -110.956858
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -347.284413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.284413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.284413 (E_RNA)
where:
Base-Base interactions energy: -236.938
where: short stacking energy: -100.256
Base-Backbone interact. energy: -1.508
local terms energy: -108.838780
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -26.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -295.625405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.625405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.625405 (E_RNA)
where:
Base-Base interactions energy: -195.610
where: short stacking energy: -97.327
Base-Backbone interact. energy: -0.111
local terms energy: -99.904091
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -281.220649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.220649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.220649 (E_RNA)
where:
Base-Base interactions energy: -172.525
where: short stacking energy: -90.169
Base-Backbone interact. energy: -0.649
local terms energy: -108.046801
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -26.050
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: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -288.068622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.068622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.068622 (E_RNA)
where:
Base-Base interactions energy: -181.723
where: short stacking energy: -97.861
Base-Backbone interact. energy: -0.003
local terms energy: -106.342644
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -21.211
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: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -259.835691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.835691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.835691 (E_RNA)
where:
Base-Base interactions energy: -163.372
where: short stacking energy: -80.888
Base-Backbone interact. energy: -0.665
local terms energy: -95.798460
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -10.220
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: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -279.621400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.621400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.621400 (E_RNA)
where:
Base-Base interactions energy: -180.739
where: short stacking energy: -76.739
Base-Backbone interact. energy: 0.268
local terms energy: -99.150370
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -247.286905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.286905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.286905 (E_RNA)
where:
Base-Base interactions energy: -163.795
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.653
local terms energy: -82.838944
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -18.636
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -210.858225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.858225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.858225 (E_RNA)
where:
Base-Base interactions energy: -126.421
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.396
local terms energy: -84.041490
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -101.153140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.153140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.153140 (E_RNA)
where:
Base-Base interactions energy: -30.750
where: short stacking energy: -21.458
Base-Backbone interact. energy: -0.330
local terms energy: -70.073168
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: 6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -354.450323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.450323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.450323 (E_RNA)
where:
Base-Base interactions energy: -251.054
where: short stacking energy: -96.808
Base-Backbone interact. energy: -0.700
local terms energy: -102.696797
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -16.114
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: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -349.601700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.601700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.601700 (E_RNA)
where:
Base-Base interactions energy: -249.016
where: short stacking energy: -105.735
Base-Backbone interact. energy: -0.156
local terms energy: -100.428741
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -303.418457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.418457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.418457 (E_RNA)
where:
Base-Base interactions energy: -199.210
where: short stacking energy: -102.082
Base-Backbone interact. energy: -0.254
local terms energy: -103.954008
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -29.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -279.293393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.293393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.293393 (E_RNA)
where:
Base-Base interactions energy: -175.660
where: short stacking energy: -90.615
Base-Backbone interact. energy: -0.197
local terms energy: -103.436235
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -23.221
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: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -288.658661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.658661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.658661 (E_RNA)
where:
Base-Base interactions energy: -181.553
where: short stacking energy: -95.039
Base-Backbone interact. energy: 0.461
local terms energy: -107.566503
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -276.939859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.939859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.939859 (E_RNA)
where:
Base-Base interactions energy: -178.090
where: short stacking energy: -85.118
Base-Backbone interact. energy: 0.207
local terms energy: -99.057501
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -245.605144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.605144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.605144 (E_RNA)
where:
Base-Base interactions energy: -159.776
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.489
local terms energy: -85.339478
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -248.278306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.278306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.278306 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -80.413
Base-Backbone interact. energy: 2.637
local terms energy: -94.328521
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -218.684531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.684531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.684531 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.630
local terms energy: -76.449253
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -12.213
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: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -121.944233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.944233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.944233 (E_RNA)
where:
Base-Base interactions energy: -52.447
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.402
local terms energy: -69.095144
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -345.426152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.426152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.426152 (E_RNA)
where:
Base-Base interactions energy: -232.984
where: short stacking energy: -90.570
Base-Backbone interact. energy: -1.845
local terms energy: -110.597983
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -328.674146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.674146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.674146 (E_RNA)
where:
Base-Base interactions energy: -231.765
where: short stacking energy: -98.283
Base-Backbone interact. energy: -0.118
local terms energy: -96.790559
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -301.892911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.892911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.892911 (E_RNA)
where:
Base-Base interactions energy: -191.969
where: short stacking energy: -103.781
Base-Backbone interact. energy: -0.228
local terms energy: -109.695580
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -29.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -283.799649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.799649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.799649 (E_RNA)
where:
Base-Base interactions energy: -188.715
where: short stacking energy: -94.202
Base-Backbone interact. energy: 0.791
local terms energy: -95.875168
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -280.876179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.876179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.876179 (E_RNA)
where:
Base-Base interactions energy: -181.455
where: short stacking energy: -88.176
Base-Backbone interact. energy: -0.272
local terms energy: -99.148813
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.577
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: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -280.952075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.952075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.952075 (E_RNA)
where:
Base-Base interactions energy: -180.185
where: short stacking energy: -86.322
Base-Backbone interact. energy: -0.377
local terms energy: -100.389681
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -248.901736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.901736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.901736 (E_RNA)
where:
Base-Base interactions energy: -168.317
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.876
local terms energy: -79.708527
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -271.075912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.075912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.075912 (E_RNA)
where:
Base-Base interactions energy: -197.012
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.824
local terms energy: -73.240335
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -16.629
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: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -215.387312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.387312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.387312 (E_RNA)
where:
Base-Base interactions energy: -133.401
where: short stacking energy: -66.595
Base-Backbone interact. energy: -0.511
local terms energy: -81.475659
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -12.903
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: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -96.939563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939563 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -29.210
Base-Backbone interact. energy: 0.505
local terms energy: -52.410585
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -335.410395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.410395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.410395 (E_RNA)
where:
Base-Base interactions energy: -231.629
where: short stacking energy: -98.588
Base-Backbone interact. energy: -0.562
local terms energy: -103.219266
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -341.209404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.209404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.209404 (E_RNA)
where:
Base-Base interactions energy: -233.412
where: short stacking energy: -84.838
Base-Backbone interact. energy: -2.806
local terms energy: -104.991117
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -20.395
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -292.347697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.347697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.347697 (E_RNA)
where:
Base-Base interactions energy: -191.279
where: short stacking energy: -99.367
Base-Backbone interact. energy: -0.085
local terms energy: -100.984043
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -293.736380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.736380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.736380 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -79.573
Base-Backbone interact. energy: -0.627
local terms energy: -106.107305
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -19.417
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: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -282.451369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.451369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.451369 (E_RNA)
where:
Base-Base interactions energy: -180.430
where: short stacking energy: -95.053
Base-Backbone interact. energy: -0.003
local terms energy: -102.018347
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -31.678
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: 224
Temperature: 1.150000
Total energy: -263.093214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.093214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.093214 (E_RNA)
where:
Base-Base interactions energy: -164.706
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.014
local terms energy: -98.373747
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -264.466660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.466660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.466660 (E_RNA)
where:
Base-Base interactions energy: -170.315
where: short stacking energy: -68.570
Base-Backbone interact. energy: 0.066
local terms energy: -94.217069
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -15.412
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -248.517766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.517766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.517766 (E_RNA)
where:
Base-Base interactions energy: -167.147
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.033
local terms energy: -81.338053
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -227.200246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200246 (E_RNA)
where:
Base-Base interactions energy: -149.346
where: short stacking energy: -67.322
Base-Backbone interact. energy: -0.498
local terms energy: -77.355617
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -3.553
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -124.388271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.388271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.388271 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -46.395
Base-Backbone interact. energy: -0.425
local terms energy: -73.575623
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -12.141
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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -351.745602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.745602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.745602 (E_RNA)
where:
Base-Base interactions energy: -238.278
where: short stacking energy: -102.472
Base-Backbone interact. energy: -1.678
local terms energy: -111.788820
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -343.594436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.594436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.594436 (E_RNA)
where:
Base-Base interactions energy: -241.330
where: short stacking energy: -98.651
Base-Backbone interact. energy: -1.646
local terms energy: -100.619038
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -18.810
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: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -291.663036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663036 (E_RNA)
where:
Base-Base interactions energy: -186.516
where: short stacking energy: -86.518
Base-Backbone interact. energy: -0.143
local terms energy: -105.004819
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.977
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: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -290.183158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.183158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.183158 (E_RNA)
where:
Base-Base interactions energy: -184.557
where: short stacking energy: -91.614
Base-Backbone interact. energy: -1.151
local terms energy: -104.475347
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -25.970
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -291.834932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.834932 (E_RNA)
where:
Base-Base interactions energy: -184.753
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.106
local terms energy: -106.976119
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -268.492276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.492276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.492276 (E_RNA)
where:
Base-Base interactions energy: -168.578
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.185
local terms energy: -99.729138
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -15.753
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -262.370731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.370731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.370731 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -73.911
Base-Backbone interact. energy: 0.212
local terms energy: -101.876642
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -24.890
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: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -253.329954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.329954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.329954 (E_RNA)
where:
Base-Base interactions energy: -154.769
where: short stacking energy: -71.263
Base-Backbone interact. energy: -0.420
local terms energy: -98.141390
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -16.284
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: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -226.896441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.896441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.896441 (E_RNA)
where:
Base-Base interactions energy: -141.584
where: short stacking energy: -53.695
Base-Backbone interact. energy: -1.107
local terms energy: -84.205953
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -109.207456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.207456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.207456 (E_RNA)
where:
Base-Base interactions energy: -44.757
where: short stacking energy: -44.757
Base-Backbone interact. energy: 0.068
local terms energy: -64.518616
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -357.009535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.009535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.009535 (E_RNA)
where:
Base-Base interactions energy: -242.888
where: short stacking energy: -98.579
Base-Backbone interact. energy: -0.171
local terms energy: -113.951172
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -24.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -333.402873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.402873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.402873 (E_RNA)
where:
Base-Base interactions energy: -222.822
where: short stacking energy: -92.755
Base-Backbone interact. energy: -1.172
local terms energy: -109.408726
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -28.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -281.474032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.474032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.474032 (E_RNA)
where:
Base-Base interactions energy: -173.948
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.493
local terms energy: -107.032697
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -24.543
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: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -282.026331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.026331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.026331 (E_RNA)
where:
Base-Base interactions energy: -178.998
where: short stacking energy: -80.458
Base-Backbone interact. energy: -0.430
local terms energy: -102.598589
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -269.484260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.484260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.484260 (E_RNA)
where:
Base-Base interactions energy: -179.342
where: short stacking energy: -81.336
Base-Backbone interact. energy: 1.698
local terms energy: -91.840410
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -19.517
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: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -257.672215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.672215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.672215 (E_RNA)
where:
Base-Base interactions energy: -155.517
where: short stacking energy: -73.613
Base-Backbone interact. energy: 0.746
local terms energy: -102.901371
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -17.504
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -264.845323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.845323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.845323 (E_RNA)
where:
Base-Base interactions energy: -168.775
where: short stacking energy: -88.478
Base-Backbone interact. energy: 0.455
local terms energy: -96.525871
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -258.825184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.825184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.825184 (E_RNA)
where:
Base-Base interactions energy: -169.908
where: short stacking energy: -74.724
Base-Backbone interact. energy: -0.166
local terms energy: -88.751180
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -7.186
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: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -233.518452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.518452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.518452 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -68.428
Base-Backbone interact. energy: -0.807
local terms energy: -82.832204
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -116.483630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.483630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.483630 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.395
local terms energy: -84.234011
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -357.071269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.071269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.071269 (E_RNA)
where:
Base-Base interactions energy: -240.014
where: short stacking energy: -96.108
Base-Backbone interact. energy: -1.019
local terms energy: -116.037669
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -322.947306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.947306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.947306 (E_RNA)
where:
Base-Base interactions energy: -214.932
where: short stacking energy: -82.604
Base-Backbone interact. energy: -0.328
local terms energy: -107.687138
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -292.076966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.076966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.076966 (E_RNA)
where:
Base-Base interactions energy: -178.261
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.515
local terms energy: -113.300726
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -15.002
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: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -282.689020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.689020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.689020 (E_RNA)
where:
Base-Base interactions energy: -184.754
where: short stacking energy: -90.285
Base-Backbone interact. energy: -0.332
local terms energy: -97.603214
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -272.975347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.975347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.975347 (E_RNA)
where:
Base-Base interactions energy: -177.010
where: short stacking energy: -81.891
Base-Backbone interact. energy: -0.132
local terms energy: -95.832984
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -271.268319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.268319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.268319 (E_RNA)
where:
Base-Base interactions energy: -169.949
where: short stacking energy: -88.354
Base-Backbone interact. energy: 0.043
local terms energy: -101.362726
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -289.573854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.573854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.573854 (E_RNA)
where:
Base-Base interactions energy: -184.788
where: short stacking energy: -83.599
Base-Backbone interact. energy: -0.346
local terms energy: -104.440127
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -24.471
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: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -244.149819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.149819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.149819 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.109
local terms energy: -84.841724
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.137
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: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -221.790556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.790556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.790556 (E_RNA)
where:
Base-Base interactions energy: -149.271
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.493
local terms energy: -72.026428
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -110.437460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437460 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.548
local terms energy: -66.891317
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -5.590
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: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -357.765045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.765045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.765045 (E_RNA)
where:
Base-Base interactions energy: -251.432
where: short stacking energy: -97.634
Base-Backbone interact. energy: -0.676
local terms energy: -105.656499
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -331.443915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.443915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.443915 (E_RNA)
where:
Base-Base interactions energy: -222.938
where: short stacking energy: -87.241
Base-Backbone interact. energy: -1.019
local terms energy: -107.487713
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -318.808742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.808742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.808742 (E_RNA)
where:
Base-Base interactions energy: -209.636
where: short stacking energy: -98.007
Base-Backbone interact. energy: -0.342
local terms energy: -108.831038
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -23.216
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: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -291.342749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.342749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.342749 (E_RNA)
where:
Base-Base interactions energy: -175.192
where: short stacking energy: -87.949
Base-Backbone interact. energy: -0.102
local terms energy: -116.048616
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -27.250
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: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -254.100553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.100553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.100553 (E_RNA)
where:
Base-Base interactions energy: -157.629
where: short stacking energy: -78.008
Base-Backbone interact. energy: 0.217
local terms energy: -96.688373
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -14.253
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: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -265.948699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.948699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.948699 (E_RNA)
where:
Base-Base interactions energy: -176.558
where: short stacking energy: -80.835
Base-Backbone interact. energy: -0.434
local terms energy: -88.956461
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -13.356
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: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -256.218930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.218930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.218930 (E_RNA)
where:
Base-Base interactions energy: -166.953
where: short stacking energy: -77.705
Base-Backbone interact. energy: -0.373
local terms energy: -88.892863
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -254.341239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.341239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.341239 (E_RNA)
where:
Base-Base interactions energy: -157.561
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.622
local terms energy: -96.158665
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -203.772800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.772800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.772800 (E_RNA)
where:
Base-Base interactions energy: -118.029
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.124
local terms energy: -85.620023
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -139.590817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.590817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.590817 (E_RNA)
where:
Base-Base interactions energy: -75.982
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.168
local terms energy: -63.441104
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -0.298
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: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -349.465110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.465110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.465110 (E_RNA)
where:
Base-Base interactions energy: -236.317
where: short stacking energy: -89.538
Base-Backbone interact. energy: 0.744
local terms energy: -113.892135
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -14.280
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: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -337.422969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.422969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.422969 (E_RNA)
where:
Base-Base interactions energy: -224.167
where: short stacking energy: -97.826
Base-Backbone interact. energy: -0.524
local terms energy: -112.732291
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -305.679749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.679749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.679749 (E_RNA)
where:
Base-Base interactions energy: -192.542
where: short stacking energy: -88.812
Base-Backbone interact. energy: -0.010
local terms energy: -113.128505
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -278.733968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.733968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.733968 (E_RNA)
where:
Base-Base interactions energy: -169.854
where: short stacking energy: -80.365
Base-Backbone interact. energy: -0.573
local terms energy: -108.306446
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -274.370806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.370806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.370806 (E_RNA)
where:
Base-Base interactions energy: -174.681
where: short stacking energy: -85.512
Base-Backbone interact. energy: -0.143
local terms energy: -99.547178
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -279.483552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.483552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.483552 (E_RNA)
where:
Base-Base interactions energy: -184.623
where: short stacking energy: -78.496
Base-Backbone interact. energy: -0.269
local terms energy: -94.591439
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -253.225192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.225192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.225192 (E_RNA)
where:
Base-Base interactions energy: -159.495
where: short stacking energy: -77.751
Base-Backbone interact. energy: 0.226
local terms energy: -93.956503
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -239.481076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.481076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.481076 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.197
local terms energy: -87.620223
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -191.324230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.324230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.324230 (E_RNA)
where:
Base-Base interactions energy: -119.427
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.060
local terms energy: -71.836499
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -6.752
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: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -175.873674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.873674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.873674 (E_RNA)
where:
Base-Base interactions energy: -99.163
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.171
local terms energy: -76.539879
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -360.213731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.213731 (E_RNA)
where:
Base-Base interactions energy: -244.482
where: short stacking energy: -108.432
Base-Backbone interact. energy: -1.038
local terms energy: -114.693595
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -343.678235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.678235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.678235 (E_RNA)
where:
Base-Base interactions energy: -246.493
where: short stacking energy: -96.992
Base-Backbone interact. energy: -0.835
local terms energy: -96.349716
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.648
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: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -294.098500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.098500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.098500 (E_RNA)
where:
Base-Base interactions energy: -188.563
where: short stacking energy: -88.054
Base-Backbone interact. energy: -0.479
local terms energy: -105.056649
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -301.403932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.403932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.403932 (E_RNA)
where:
Base-Base interactions energy: -201.246
where: short stacking energy: -94.224
Base-Backbone interact. energy: -0.185
local terms energy: -99.972957
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -270.704671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.704671 (E_RNA)
where:
Base-Base interactions energy: -167.031
where: short stacking energy: -82.817
Base-Backbone interact. energy: -0.762
local terms energy: -102.911538
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -274.941903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.941903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.941903 (E_RNA)
where:
Base-Base interactions energy: -186.745
where: short stacking energy: -80.966
Base-Backbone interact. energy: -0.366
local terms energy: -87.830830
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -235.732597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.732597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.732597 (E_RNA)
where:
Base-Base interactions energy: -151.085
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.094
local terms energy: -84.552916
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -251.946969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.946969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.946969 (E_RNA)
where:
Base-Base interactions energy: -172.993
where: short stacking energy: -77.027
Base-Backbone interact. energy: -0.402
local terms energy: -78.550999
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -196.628540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.628540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628540 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -49.554
Base-Backbone interact. energy: -0.298
local terms energy: -76.167028
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -197.659627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.659627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.659627 (E_RNA)
where:
Base-Base interactions energy: -127.439
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.058
local terms energy: -70.162628
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -345.773891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.773891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.773891 (E_RNA)
where:
Base-Base interactions energy: -232.476
where: short stacking energy: -98.010
Base-Backbone interact. energy: -0.799
local terms energy: -112.498978
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -340.748515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.748515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.748515 (E_RNA)
where:
Base-Base interactions energy: -229.896
where: short stacking energy: -103.115
Base-Backbone interact. energy: -1.595
local terms energy: -109.258131
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -29.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -307.302137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.302137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.302137 (E_RNA)
where:
Base-Base interactions energy: -200.074
where: short stacking energy: -83.988
Base-Backbone interact. energy: -1.917
local terms energy: -105.311480
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -283.609134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.609134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.609134 (E_RNA)
where:
Base-Base interactions energy: -182.130
where: short stacking energy: -94.743
Base-Backbone interact. energy: -0.113
local terms energy: -101.366108
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -283.891200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.891200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.891200 (E_RNA)
where:
Base-Base interactions energy: -179.123
where: short stacking energy: -77.520
Base-Backbone interact. energy: 0.098
local terms energy: -104.865907
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -272.988207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.988207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.988207 (E_RNA)
where:
Base-Base interactions energy: -187.667
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.346
local terms energy: -84.975210
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -19.324
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: 231
Temperature: 1.200000
Total energy: -235.601336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.601336 (E_RNA)
where:
Base-Base interactions energy: -148.426
where: short stacking energy: -67.330
Base-Backbone interact. energy: -0.197
local terms energy: -86.978991
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -233.433151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.433151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.433151 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.518
local terms energy: -83.681184
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -205.083069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.083069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.083069 (E_RNA)
where:
Base-Base interactions energy: -118.940
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.853
local terms energy: -85.290132
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -195.018154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.018154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.018154 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.117
local terms energy: -78.298436
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -7.542
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: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -350.726900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.726900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.726900 (E_RNA)
where:
Base-Base interactions energy: -233.098
where: short stacking energy: -106.300
Base-Backbone interact. energy: -0.902
local terms energy: -116.726783
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -334.443828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.443828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.443828 (E_RNA)
where:
Base-Base interactions energy: -221.423
where: short stacking energy: -104.370
Base-Backbone interact. energy: -0.045
local terms energy: -112.976026
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -28.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -307.728838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.728838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.728838 (E_RNA)
where:
Base-Base interactions energy: -200.247
where: short stacking energy: -87.518
Base-Backbone interact. energy: -1.285
local terms energy: -106.197050
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -23.563
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -268.807466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.807466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.807466 (E_RNA)
where:
Base-Base interactions energy: -169.659
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.028
local terms energy: -99.120877
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -15.628
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: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -282.592392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.592392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.592392 (E_RNA)
where:
Base-Base interactions energy: -182.942
where: short stacking energy: -90.359
Base-Backbone interact. energy: 1.970
local terms energy: -101.621021
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -282.443994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.443994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.443994 (E_RNA)
where:
Base-Base interactions energy: -202.075
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.495
local terms energy: -79.874725
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -13.021
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -274.566782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.566782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.566782 (E_RNA)
where:
Base-Base interactions energy: -184.518
where: short stacking energy: -83.746
Base-Backbone interact. energy: 1.558
local terms energy: -91.606447
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -8.891
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: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -231.089031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089031 (E_RNA)
where:
Base-Base interactions energy: -145.187
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.581
local terms energy: -85.320903
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -10.523
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: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -210.729333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.729333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.729333 (E_RNA)
where:
Base-Base interactions energy: -121.496
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.853
local terms energy: -88.380248
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -10.972
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -182.879157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.879157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.879157 (E_RNA)
where:
Base-Base interactions energy: -99.947
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.152
local terms energy: -82.779881
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -342.148988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.148988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.148988 (E_RNA)
where:
Base-Base interactions energy: -220.260
where: short stacking energy: -101.357
Base-Backbone interact. energy: -0.680
local terms energy: -121.208404
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -32.028
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: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -316.958712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.958712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.958712 (E_RNA)
where:
Base-Base interactions energy: -214.947
where: short stacking energy: -97.444
Base-Backbone interact. energy: -0.534
local terms energy: -101.477127
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -27.870
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: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -273.829612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.829612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.829612 (E_RNA)
where:
Base-Base interactions energy: -172.845
where: short stacking energy: -87.456
Base-Backbone interact. energy: 0.206
local terms energy: -101.190668
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -285.374198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.374198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.374198 (E_RNA)
where:
Base-Base interactions energy: -196.949
where: short stacking energy: -89.288
Base-Backbone interact. energy: -0.066
local terms energy: -88.359878
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -260.768073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.768073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.768073 (E_RNA)
where:
Base-Base interactions energy: -161.140
where: short stacking energy: -74.250
Base-Backbone interact. energy: -0.592
local terms energy: -99.036796
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -265.081714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.081714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.081714 (E_RNA)
where:
Base-Base interactions energy: -175.347
where: short stacking energy: -73.877
Base-Backbone interact. energy: -0.083
local terms energy: -89.651747
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -9.582
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: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -258.322169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.322169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.322169 (E_RNA)
where:
Base-Base interactions energy: -172.521
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.008
local terms energy: -85.792595
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.112
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: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -224.897818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897818 (E_RNA)
where:
Base-Base interactions energy: -149.801
where: short stacking energy: -79.208
Base-Backbone interact. energy: 1.043
local terms energy: -76.140202
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -18.036
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: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -212.500720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.500720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.500720 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -65.932
Base-Backbone interact. energy: -0.330
local terms energy: -81.144488
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -8.416
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: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -206.691303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.691303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.691303 (E_RNA)
where:
Base-Base interactions energy: -125.630
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.672
local terms energy: -80.388477
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -326.991230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.991230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.991230 (E_RNA)
where:
Base-Base interactions energy: -210.461
where: short stacking energy: -95.318
Base-Backbone interact. energy: 0.567
local terms energy: -117.097225
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -352.001608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.001608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.001608 (E_RNA)
where:
Base-Base interactions energy: -228.015
where: short stacking energy: -101.396
Base-Backbone interact. energy: -0.866
local terms energy: -123.120703
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -33.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -288.605351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.605351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.605351 (E_RNA)
where:
Base-Base interactions energy: -194.174
where: short stacking energy: -83.017
Base-Backbone interact. energy: -0.296
local terms energy: -94.135005
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -284.536643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.536643 (E_RNA)
where:
Base-Base interactions energy: -185.604
where: short stacking energy: -89.096
Base-Backbone interact. energy: -0.126
local terms energy: -98.806073
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -25.088
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: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -294.676147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.676147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.676147 (E_RNA)
where:
Base-Base interactions energy: -193.102
where: short stacking energy: -74.831
Base-Backbone interact. energy: -0.130
local terms energy: -101.444033
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -270.526455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.526455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.526455 (E_RNA)
where:
Base-Base interactions energy: -178.621
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.246
local terms energy: -91.659961
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -271.686039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.686039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.686039 (E_RNA)
where:
Base-Base interactions energy: -177.746
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.858
local terms energy: -93.082063
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -221.895968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895968 (E_RNA)
where:
Base-Base interactions energy: -136.036
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.170
local terms energy: -85.689598
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -201.996855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.996855 (E_RNA)
where:
Base-Base interactions energy: -120.479
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.359
local terms energy: -81.159246
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -6.236
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -225.683113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.683113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.683113 (E_RNA)
where:
Base-Base interactions energy: -138.294
where: short stacking energy: -61.194
Base-Backbone interact. energy: 0.294
local terms energy: -87.683204
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -13.262
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: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -349.391156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.391156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.391156 (E_RNA)
where:
Base-Base interactions energy: -237.740
where: short stacking energy: -107.944
Base-Backbone interact. energy: -0.391
local terms energy: -111.259716
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -25.892
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: 235
Temperature: 0.950000
Total energy: -341.972942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.972942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.972942 (E_RNA)
where:
Base-Base interactions energy: -223.748
where: short stacking energy: -96.932
Base-Backbone interact. energy: -0.269
local terms energy: -117.955192
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -15.950
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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -291.770526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.770526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.770526 (E_RNA)
where:
Base-Base interactions energy: -190.596
where: short stacking energy: -84.729
Base-Backbone interact. energy: -0.342
local terms energy: -100.832501
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -12.972
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -308.872513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.872513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.872513 (E_RNA)
where:
Base-Base interactions energy: -214.616
where: short stacking energy: -98.722
Base-Backbone interact. energy: -0.405
local terms energy: -93.851106
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -25.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -279.901369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.901369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.901369 (E_RNA)
where:
Base-Base interactions energy: -174.932
where: short stacking energy: -87.602
Base-Backbone interact. energy: -0.271
local terms energy: -104.698280
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -252.991277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.991277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.991277 (E_RNA)
where:
Base-Base interactions energy: -153.692
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.146
local terms energy: -99.153667
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -274.219660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.219660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.219660 (E_RNA)
where:
Base-Base interactions energy: -168.404
where: short stacking energy: -79.595
Base-Backbone interact. energy: 0.308
local terms energy: -106.123551
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -260.793081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.793081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.793081 (E_RNA)
where:
Base-Base interactions energy: -168.537
where: short stacking energy: -78.385
Base-Backbone interact. energy: -0.197
local terms energy: -92.058626
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -198.022757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.022757 (E_RNA)
where:
Base-Base interactions energy: -112.228
where: short stacking energy: -57.859
Base-Backbone interact. energy: -1.043
local terms energy: -84.751746
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -13.918
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: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -213.980690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.980690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.980690 (E_RNA)
where:
Base-Base interactions energy: -138.045
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.361
local terms energy: -75.573719
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -11.039
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -342.972342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.972342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.972342 (E_RNA)
where:
Base-Base interactions energy: -240.450
where: short stacking energy: -104.109
Base-Backbone interact. energy: -0.209
local terms energy: -102.313479
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -24.671
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -337.584010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.584010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.584010 (E_RNA)
where:
Base-Base interactions energy: -227.724
where: short stacking energy: -104.838
Base-Backbone interact. energy: -0.249
local terms energy: -109.610905
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -308.116827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.116827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.116827 (E_RNA)
where:
Base-Base interactions energy: -207.350
where: short stacking energy: -81.221
Base-Backbone interact. energy: -0.867
local terms energy: -99.900572
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -282.425990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.425990 (E_RNA)
where:
Base-Base interactions energy: -190.480
where: short stacking energy: -79.369
Base-Backbone interact. energy: -0.174
local terms energy: -91.771196
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -15.176
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: 236
Temperature: 1.100000
Total energy: -268.558615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.558615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.558615 (E_RNA)
where:
Base-Base interactions energy: -177.904
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.162
local terms energy: -90.492880
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -271.069786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.069786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.069786 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -75.814
Base-Backbone interact. energy: 1.896
local terms energy: -105.246697
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -23.072
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: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -256.333929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.333929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.333929 (E_RNA)
where:
Base-Base interactions energy: -155.336
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.165
local terms energy: -100.832258
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -17.854
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: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -248.271048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.271048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.271048 (E_RNA)
where:
Base-Base interactions energy: -152.436
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.390
local terms energy: -95.445704
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -16.626
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: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -197.966523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.966523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.966523 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.357
local terms energy: -74.108276
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -191.953338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.953338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.953338 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.236
local terms energy: -73.636954
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -9.840
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: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -351.091612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.091612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.091612 (E_RNA)
where:
Base-Base interactions energy: -240.572
where: short stacking energy: -102.591
Base-Backbone interact. energy: -0.055
local terms energy: -110.465213
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -334.595609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.595609 (E_RNA)
where:
Base-Base interactions energy: -225.051
where: short stacking energy: -90.354
Base-Backbone interact. energy: -0.922
local terms energy: -108.622964
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -28.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -312.614256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.614256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.614256 (E_RNA)
where:
Base-Base interactions energy: -208.920
where: short stacking energy: -100.892
Base-Backbone interact. energy: -0.087
local terms energy: -103.607729
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -29.587
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: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -282.601106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.601106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.601106 (E_RNA)
where:
Base-Base interactions energy: -180.203
where: short stacking energy: -85.164
Base-Backbone interact. energy: -0.251
local terms energy: -102.147462
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -259.323288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.323288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.323288 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -82.328
Base-Backbone interact. energy: -0.612
local terms energy: -96.387441
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -270.762830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.762830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.762830 (E_RNA)
where:
Base-Base interactions energy: -167.708
where: short stacking energy: -84.329
Base-Backbone interact. energy: -0.202
local terms energy: -102.853490
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -268.115047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.115047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.115047 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -80.980
Base-Backbone interact. energy: -1.191
local terms energy: -84.256457
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -12.636
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -213.455911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.455911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455911 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -61.632
Base-Backbone interact. energy: 0.991
local terms energy: -83.730874
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -247.615116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.615116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.615116 (E_RNA)
where:
Base-Base interactions energy: -153.139
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.783
local terms energy: -93.693262
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -8.995
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: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -219.367378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.367378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.367378 (E_RNA)
where:
Base-Base interactions energy: -132.789
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.268
local terms energy: -86.310287
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -343.891160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.891160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.891160 (E_RNA)
where:
Base-Base interactions energy: -230.964
where: short stacking energy: -108.988
Base-Backbone interact. energy: -0.115
local terms energy: -112.812417
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -29.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -322.657402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.657402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.657402 (E_RNA)
where:
Base-Base interactions energy: -208.913
where: short stacking energy: -94.489
Base-Backbone interact. energy: 0.499
local terms energy: -114.243528
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -315.241145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.241145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.241145 (E_RNA)
where:
Base-Base interactions energy: -209.449
where: short stacking energy: -107.388
Base-Backbone interact. energy: -0.028
local terms energy: -105.765016
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -23.705
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: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -294.787142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.787142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.787142 (E_RNA)
where:
Base-Base interactions energy: -194.933
where: short stacking energy: -78.319
Base-Backbone interact. energy: 0.403
local terms energy: -100.257504
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -228.924986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.924986 (E_RNA)
where:
Base-Base interactions energy: -130.664
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.051
local terms energy: -98.209605
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -12.356
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: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -271.561067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.561067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.561067 (E_RNA)
where:
Base-Base interactions energy: -174.591
where: short stacking energy: -87.251
Base-Backbone interact. energy: -0.194
local terms energy: -96.775855
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -16.914
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: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -265.259659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.259659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.259659 (E_RNA)
where:
Base-Base interactions energy: -172.226
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.260
local terms energy: -92.773104
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -26.175
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: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -215.627728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.627728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.627728 (E_RNA)
where:
Base-Base interactions energy: -136.641
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.207
local terms energy: -78.779544
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -225.867091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.867091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.867091 (E_RNA)
where:
Base-Base interactions energy: -131.891
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.243
local terms energy: -93.733833
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -14.070
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: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -232.573091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.573091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.573091 (E_RNA)
where:
Base-Base interactions energy: -149.729
where: short stacking energy: -77.564
Base-Backbone interact. energy: -0.108
local terms energy: -82.736084
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -21.979
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -340.464676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.464676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.464676 (E_RNA)
where:
Base-Base interactions energy: -228.992
where: short stacking energy: -94.645
Base-Backbone interact. energy: -0.461
local terms energy: -111.011438
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -22.694
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: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -330.463440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.463440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.463440 (E_RNA)
where:
Base-Base interactions energy: -222.202
where: short stacking energy: -107.588
Base-Backbone interact. energy: -0.126
local terms energy: -108.135937
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -325.596416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.596416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.596416 (E_RNA)
where:
Base-Base interactions energy: -210.635
where: short stacking energy: -100.580
Base-Backbone interact. energy: -0.004
local terms energy: -114.956973
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -292.349143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.349143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.349143 (E_RNA)
where:
Base-Base interactions energy: -194.496
where: short stacking energy: -85.670
Base-Backbone interact. energy: -0.235
local terms energy: -97.618753
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -222.123730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.123730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.123730 (E_RNA)
where:
Base-Base interactions energy: -135.248
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.204
local terms energy: -86.671992
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -10.694
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: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -265.785680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.785680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.785680 (E_RNA)
where:
Base-Base interactions energy: -172.243
where: short stacking energy: -82.538
Base-Backbone interact. energy: -0.442
local terms energy: -93.099872
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -271.094080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.094080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.094080 (E_RNA)
where:
Base-Base interactions energy: -174.389
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.258
local terms energy: -96.447307
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -238.407353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.407353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.407353 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -64.857
Base-Backbone interact. energy: -1.168
local terms energy: -80.362383
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -205.254225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.254225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.254225 (E_RNA)
where:
Base-Base interactions energy: -123.462
where: short stacking energy: -72.599
Base-Backbone interact. energy: -0.121
local terms energy: -81.670815
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -15.343
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -212.802896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802896 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.222
local terms energy: -78.808142
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -335.453385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.453385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.453385 (E_RNA)
where:
Base-Base interactions energy: -222.137
where: short stacking energy: -93.429
Base-Backbone interact. energy: -0.805
local terms energy: -112.511808
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -25.966
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: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -325.398013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.398013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.398013 (E_RNA)
where:
Base-Base interactions energy: -222.571
where: short stacking energy: -103.892
Base-Backbone interact. energy: 2.425
local terms energy: -105.251992
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -26.172
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: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -304.235529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.235529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.235529 (E_RNA)
where:
Base-Base interactions energy: -195.021
where: short stacking energy: -89.355
Base-Backbone interact. energy: -0.430
local terms energy: -108.785400
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -286.449490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.449490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.449490 (E_RNA)
where:
Base-Base interactions energy: -175.835
where: short stacking energy: -88.821
Base-Backbone interact. energy: -0.071
local terms energy: -110.543186
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -262.247967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.247967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.247967 (E_RNA)
where:
Base-Base interactions energy: -169.983
where: short stacking energy: -82.609
Base-Backbone interact. energy: -0.404
local terms energy: -91.861556
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -226.446437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.446437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.446437 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.145
local terms energy: -87.664714
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -13.596
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: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -241.099822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.099822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.099822 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -64.046
Base-Backbone interact. energy: 0.117
local terms energy: -77.829860
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -261.557762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.557762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.557762 (E_RNA)
where:
Base-Base interactions energy: -171.312
where: short stacking energy: -73.465
Base-Backbone interact. energy: -2.233
local terms energy: -88.012792
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -207.878886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.878886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.878886 (E_RNA)
where:
Base-Base interactions energy: -126.847
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.757
local terms energy: -80.274864
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -7.894
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: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -183.932060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.932060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.932060 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.565
local terms energy: -67.537810
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -338.869044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.869044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.869044 (E_RNA)
where:
Base-Base interactions energy: -233.018
where: short stacking energy: -90.901
Base-Backbone interact. energy: -0.533
local terms energy: -105.318247
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -24.015
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: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -342.775482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.775482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.775482 (E_RNA)
where:
Base-Base interactions energy: -227.107
where: short stacking energy: -101.140
Base-Backbone interact. energy: -0.895
local terms energy: -114.773473
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -27.473
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: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -268.726711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.726711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.726711 (E_RNA)
where:
Base-Base interactions energy: -178.402
where: short stacking energy: -84.674
Base-Backbone interact. energy: 0.191
local terms energy: -90.516197
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.528
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: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -292.029052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.029052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.029052 (E_RNA)
where:
Base-Base interactions energy: -180.792
where: short stacking energy: -87.695
Base-Backbone interact. energy: -0.015
local terms energy: -111.222345
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -272.718726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.718726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.718726 (E_RNA)
where:
Base-Base interactions energy: -174.650
where: short stacking energy: -69.449
Base-Backbone interact. energy: -0.334
local terms energy: -97.735615
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -16.257
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: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -263.600466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.600466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.600466 (E_RNA)
where:
Base-Base interactions energy: -176.967
where: short stacking energy: -66.226
Base-Backbone interact. energy: -1.099
local terms energy: -85.534402
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -241.892740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.892740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.892740 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.284
local terms energy: -98.613479
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -228.992214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.992214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.992214 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -61.892
Base-Backbone interact. energy: 0.631
local terms energy: -73.634574
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -13.476
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -196.090586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.090586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.090586 (E_RNA)
where:
Base-Base interactions energy: -120.253
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.342
local terms energy: -75.495570
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -191.503569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.503569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.503569 (E_RNA)
where:
Base-Base interactions energy: -113.379
where: short stacking energy: -49.900
Base-Backbone interact. energy: 1.736
local terms energy: -79.861026
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -17.800
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -331.780745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.780745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.780745 (E_RNA)
where:
Base-Base interactions energy: -223.034
where: short stacking energy: -92.657
Base-Backbone interact. energy: -0.883
local terms energy: -107.863468
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -24.145
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: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -339.719558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.719558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.719558 (E_RNA)
where:
Base-Base interactions energy: -230.127
where: short stacking energy: -94.228
Base-Backbone interact. energy: 1.149
local terms energy: -110.741811
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -24.292
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: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -305.807474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.807474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.807474 (E_RNA)
where:
Base-Base interactions energy: -201.166
where: short stacking energy: -92.279
Base-Backbone interact. energy: -0.456
local terms energy: -104.185073
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -24.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -282.881537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.881537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.881537 (E_RNA)
where:
Base-Base interactions energy: -200.493
where: short stacking energy: -86.317
Base-Backbone interact. energy: -0.388
local terms energy: -82.000377
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -270.751364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.751364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.751364 (E_RNA)
where:
Base-Base interactions energy: -167.177
where: short stacking energy: -76.767
Base-Backbone interact. energy: -1.137
local terms energy: -102.437393
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -18.151
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: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -240.071819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.071819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.071819 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.366
local terms energy: -90.747106
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -15.448
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -206.315286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.315286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.315286 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -65.026
Base-Backbone interact. energy: 0.353
local terms energy: -73.050224
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -6.830
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -213.516016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516016 (E_RNA)
where:
Base-Base interactions energy: -128.165
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.077
local terms energy: -85.274654
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -13.883
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: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -195.393099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393099 (E_RNA)
where:
Base-Base interactions energy: -119.412
where: short stacking energy: -45.620
Base-Backbone interact. energy: -2.377
local terms energy: -73.603497
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -1.790
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: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -173.458355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.458355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.458355 (E_RNA)
where:
Base-Base interactions energy: -105.996
where: short stacking energy: -47.164
Base-Backbone interact. energy: 0.302
local terms energy: -67.763713
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -334.010479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.010479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.010479 (E_RNA)
where:
Base-Base interactions energy: -225.177
where: short stacking energy: -90.840
Base-Backbone interact. energy: 0.427
local terms energy: -109.260702
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -338.724138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.724138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.724138 (E_RNA)
where:
Base-Base interactions energy: -232.174
where: short stacking energy: -98.450
Base-Backbone interact. energy: -0.166
local terms energy: -106.384411
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -31.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -312.345415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.345415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.345415 (E_RNA)
where:
Base-Base interactions energy: -206.423
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.574
local terms energy: -105.348254
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -23.127
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: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -300.047096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.047096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.047096 (E_RNA)
where:
Base-Base interactions energy: -199.062
where: short stacking energy: -92.825
Base-Backbone interact. energy: -1.296
local terms energy: -99.688722
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -263.909285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.909285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.909285 (E_RNA)
where:
Base-Base interactions energy: -177.808
where: short stacking energy: -79.351
Base-Backbone interact. energy: -0.923
local terms energy: -85.178318
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -14.932
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -240.385424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.385424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.385424 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.765
local terms energy: -85.484475
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -11.859
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: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -202.216913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.216913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.216913 (E_RNA)
where:
Base-Base interactions energy: -122.956
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.276
local terms energy: -78.985067
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -18.370
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: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -236.237897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.237897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.237897 (E_RNA)
where:
Base-Base interactions energy: -146.684
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.095
local terms energy: -89.458937
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -194.794440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.794440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.794440 (E_RNA)
where:
Base-Base interactions energy: -116.935
where: short stacking energy: -48.708
Base-Backbone interact. energy: -0.488
local terms energy: -77.371034
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -6.574
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: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -121.238895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.238895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.238895 (E_RNA)
where:
Base-Base interactions energy: -57.455
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.565
local terms energy: -63.218389
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: 4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -340.194012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.194012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.194012 (E_RNA)
where:
Base-Base interactions energy: -220.073
where: short stacking energy: -100.683
Base-Backbone interact. energy: 0.965
local terms energy: -121.085848
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -28.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -321.449874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449874 (E_RNA)
where:
Base-Base interactions energy: -206.746
where: short stacking energy: -87.540
Base-Backbone interact. energy: -0.120
local terms energy: -114.583962
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -314.925668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.925668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.925668 (E_RNA)
where:
Base-Base interactions energy: -210.012
where: short stacking energy: -90.806
Base-Backbone interact. energy: -0.514
local terms energy: -104.399407
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -25.056
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: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -320.620394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.620394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.620394 (E_RNA)
where:
Base-Base interactions energy: -221.983
where: short stacking energy: -95.516
Base-Backbone interact. energy: -0.133
local terms energy: -98.503908
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -24.879
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: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -293.145773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.145773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.145773 (E_RNA)
where:
Base-Base interactions energy: -187.603
where: short stacking energy: -90.042
Base-Backbone interact. energy: 0.693
local terms energy: -106.236695
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -230.326268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.326268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.326268 (E_RNA)
where:
Base-Base interactions energy: -143.987
where: short stacking energy: -71.532
Base-Backbone interact. energy: 1.304
local terms energy: -87.643220
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -15.299
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: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -250.159608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.159608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.159608 (E_RNA)
where:
Base-Base interactions energy: -164.579
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.448
local terms energy: -85.132366
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -15.445
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: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -213.400679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.400679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.400679 (E_RNA)
where:
Base-Base interactions energy: -131.786
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.546
local terms energy: -81.067817
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -210.089113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.089113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.089113 (E_RNA)
where:
Base-Base interactions energy: -124.625
where: short stacking energy: -62.594
Base-Backbone interact. energy: 2.062
local terms energy: -87.525972
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -14.511
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: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -130.710866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.710866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.710866 (E_RNA)
where:
Base-Base interactions energy: -58.231
where: short stacking energy: -45.184
Base-Backbone interact. energy: 0.953
local terms energy: -73.433005
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -339.728995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.728995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.728995 (E_RNA)
where:
Base-Base interactions energy: -223.637
where: short stacking energy: -102.557
Base-Backbone interact. energy: -0.289
local terms energy: -115.802163
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -30.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -319.334582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.334582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.334582 (E_RNA)
where:
Base-Base interactions energy: -215.112
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.284
local terms energy: -103.938165
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -23.011
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: 245
Temperature: 1.000000
Total energy: -315.429631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.429631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.429631 (E_RNA)
where:
Base-Base interactions energy: -214.706
where: short stacking energy: -79.926
Base-Backbone interact. energy: -1.115
local terms energy: -99.608565
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -296.349660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.349660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.349660 (E_RNA)
where:
Base-Base interactions energy: -182.505
where: short stacking energy: -84.027
Base-Backbone interact. energy: -2.084
local terms energy: -111.760608
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -22.172
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: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -321.776222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.776222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.776222 (E_RNA)
where:
Base-Base interactions energy: -207.883
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.206
local terms energy: -113.687659
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -27.410
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: 245
Temperature: 1.150000
Total energy: -252.927951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.927951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.927951 (E_RNA)
where:
Base-Base interactions energy: -155.617
where: short stacking energy: -81.837
Base-Backbone interact. energy: -0.208
local terms energy: -97.103069
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -243.506826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.506826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.506826 (E_RNA)
where:
Base-Base interactions energy: -154.222
where: short stacking energy: -68.979
Base-Backbone interact. energy: -1.101
local terms energy: -88.183301
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -10.210
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: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -223.603356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.603356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.603356 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -72.177
Base-Backbone interact. energy: 1.157
local terms energy: -79.210029
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -188.936271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.936271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.936271 (E_RNA)
where:
Base-Base interactions energy: -107.737
where: short stacking energy: -54.958
Base-Backbone interact. energy: -1.204
local terms energy: -79.994961
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -111.139811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.139811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.139811 (E_RNA)
where:
Base-Base interactions energy: -41.121
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.187
local terms energy: -69.831596
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -2.225
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: 246
Temperature: 0.900000
Total energy: -324.459200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.459200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.459200 (E_RNA)
where:
Base-Base interactions energy: -211.664
where: short stacking energy: -92.491
Base-Backbone interact. energy: -0.088
local terms energy: -112.707362
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -25.004
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: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -334.227970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.227970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.227970 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -94.330
Base-Backbone interact. energy: -1.028
local terms energy: -108.095028
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -24.305
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: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -310.131545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.131545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.131545 (E_RNA)
where:
Base-Base interactions energy: -208.979
where: short stacking energy: -93.665
Base-Backbone interact. energy: -1.281
local terms energy: -99.871952
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -300.105947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.105947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.105947 (E_RNA)
where:
Base-Base interactions energy: -204.686
where: short stacking energy: -81.329
Base-Backbone interact. energy: -0.782
local terms energy: -94.637783
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -14.888
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -325.121710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.121710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.121710 (E_RNA)
where:
Base-Base interactions energy: -224.003
where: short stacking energy: -85.772
Base-Backbone interact. energy: -1.737
local terms energy: -99.382202
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -249.580067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.580067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.580067 (E_RNA)
where:
Base-Base interactions energy: -159.906
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.254
local terms energy: -89.419882
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -246.346295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.346295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.346295 (E_RNA)
where:
Base-Base interactions energy: -161.573
where: short stacking energy: -72.828
Base-Backbone interact. energy: 0.022
local terms energy: -84.794961
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -13.621
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: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -220.063759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.063759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.063759 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -63.159
Base-Backbone interact. energy: 0.141
local terms energy: -79.319708
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -193.691103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.691103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.691103 (E_RNA)
where:
Base-Base interactions energy: -106.667
where: short stacking energy: -52.901
Base-Backbone interact. energy: 0.489
local terms energy: -87.513434
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -96.293317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.293317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.293317 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -20.308
Base-Backbone interact. energy: 0.344
local terms energy: -72.544506
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -342.430076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.430076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.430076 (E_RNA)
where:
Base-Base interactions energy: -225.542
where: short stacking energy: -112.393
Base-Backbone interact. energy: -0.178
local terms energy: -116.710776
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -324.653080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.653080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.653080 (E_RNA)
where:
Base-Base interactions energy: -214.340
where: short stacking energy: -104.326
Base-Backbone interact. energy: -0.164
local terms energy: -110.148785
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -26.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -315.368259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.368259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.368259 (E_RNA)
where:
Base-Base interactions energy: -208.328
where: short stacking energy: -99.446
Base-Backbone interact. energy: -0.208
local terms energy: -106.832715
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -26.759
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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -331.633606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.633606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.633606 (E_RNA)
where:
Base-Base interactions energy: -219.554
where: short stacking energy: -97.041
Base-Backbone interact. energy: -0.064
local terms energy: -112.015845
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -284.865072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.865072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.865072 (E_RNA)
where:
Base-Base interactions energy: -187.209
where: short stacking energy: -84.445
Base-Backbone interact. energy: -0.383
local terms energy: -97.273507
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -246.583583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.583583 (E_RNA)
where:
Base-Base interactions energy: -169.293
where: short stacking energy: -69.024
Base-Backbone interact. energy: 0.612
local terms energy: -77.902525
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -244.230657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.230657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.230657 (E_RNA)
where:
Base-Base interactions energy: -170.220
where: short stacking energy: -71.495
Base-Backbone interact. energy: -0.027
local terms energy: -73.983406
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -199.443005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.443005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.443005 (E_RNA)
where:
Base-Base interactions energy: -124.933
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.251
local terms energy: -74.258105
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -193.257785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257785 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -54.886
Base-Backbone interact. energy: -1.017
local terms energy: -76.003583
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -7.053
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -108.194513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.194513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.194513 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -40.027
Base-Backbone interact. energy: 1.500
local terms energy: -65.674752
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -7.553
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: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -336.403159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.403159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.403159 (E_RNA)
where:
Base-Base interactions energy: -225.889
where: short stacking energy: -93.260
Base-Backbone interact. energy: -0.389
local terms energy: -110.125281
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -14.948
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: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -331.570335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.570335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.570335 (E_RNA)
where:
Base-Base interactions energy: -225.592
where: short stacking energy: -91.700
Base-Backbone interact. energy: -0.633
local terms energy: -105.345772
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -316.730412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.730412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.730412 (E_RNA)
where:
Base-Base interactions energy: -211.773
where: short stacking energy: -99.170
Base-Backbone interact. energy: -0.603
local terms energy: -104.354140
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -25.595
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -319.737117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.737117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.737117 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -92.895
Base-Backbone interact. energy: -0.313
local terms energy: -97.055085
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -286.943654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.943654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.943654 (E_RNA)
where:
Base-Base interactions energy: -192.436
where: short stacking energy: -91.370
Base-Backbone interact. energy: 1.584
local terms energy: -96.090955
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -23.054
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -265.881738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.881738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.881738 (E_RNA)
where:
Base-Base interactions energy: -181.050
where: short stacking energy: -82.860
Base-Backbone interact. energy: -0.253
local terms energy: -84.579213
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -16.174
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: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -245.518939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.518939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.518939 (E_RNA)
where:
Base-Base interactions energy: -159.366
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.195
local terms energy: -85.957455
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -216.021747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021747 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.334
local terms energy: -79.601564
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -189.879772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.879772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879772 (E_RNA)
where:
Base-Base interactions energy: -116.870
where: short stacking energy: -57.593
Base-Backbone interact. energy: 0.806
local terms energy: -73.815493
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -9.543
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: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -113.018599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.018599 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -32.572
Base-Backbone interact. energy: -1.520
local terms energy: -76.150793
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: 5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -340.026816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.026816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.026816 (E_RNA)
where:
Base-Base interactions energy: -222.601
where: short stacking energy: -93.238
Base-Backbone interact. energy: -0.858
local terms energy: -116.567565
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -24.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -335.149566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.149566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.149566 (E_RNA)
where:
Base-Base interactions energy: -230.305
where: short stacking energy: -102.788
Base-Backbone interact. energy: -0.185
local terms energy: -104.659856
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -27.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -317.876314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.876314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.876314 (E_RNA)
where:
Base-Base interactions energy: -212.612
where: short stacking energy: -101.887
Base-Backbone interact. energy: -0.165
local terms energy: -105.100039
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -27.037
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: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -314.124830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.124830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.124830 (E_RNA)
where:
Base-Base interactions energy: -207.201
where: short stacking energy: -97.715
Base-Backbone interact. energy: -0.433
local terms energy: -106.491173
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -23.981
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: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -283.151519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.151519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.151519 (E_RNA)
where:
Base-Base interactions energy: -213.633
where: short stacking energy: -73.810
Base-Backbone interact. energy: 0.109
local terms energy: -69.627283
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -13.401
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -279.801271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.801271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.801271 (E_RNA)
where:
Base-Base interactions energy: -180.674
where: short stacking energy: -89.264
Base-Backbone interact. energy: -0.017
local terms energy: -99.110194
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -27.363
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: 249
Temperature: 1.200000
Total energy: -270.244452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.244452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.244452 (E_RNA)
where:
Base-Base interactions energy: -168.780
where: short stacking energy: -79.144
Base-Backbone interact. energy: -0.156
local terms energy: -101.307926
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -199.915318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.915318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.915318 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.609
local terms energy: -77.396186
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -191.558033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.558033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.558033 (E_RNA)
where:
Base-Base interactions energy: -117.084
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.482
local terms energy: -73.992887
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -14.599
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: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -107.071019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071019 (E_RNA)
where:
Base-Base interactions energy: -35.248
where: short stacking energy: -34.512
Base-Backbone interact. energy: 1.906
local terms energy: -73.729502
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -350.831177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.831177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.831177 (E_RNA)
where:
Base-Base interactions energy: -226.120
where: short stacking energy: -102.263
Base-Backbone interact. energy: -0.762
local terms energy: -123.948902
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -30.016
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -331.534948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.534948 (E_RNA)
where:
Base-Base interactions energy: -208.750
where: short stacking energy: -99.652
Base-Backbone interact. energy: -0.691
local terms energy: -122.094021
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -33.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -320.828378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.828378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.828378 (E_RNA)
where:
Base-Base interactions energy: -212.795
where: short stacking energy: -79.476
Base-Backbone interact. energy: -1.227
local terms energy: -106.806583
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -22.613
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -315.032376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.032376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.032376 (E_RNA)
where:
Base-Base interactions energy: -206.835
where: short stacking energy: -98.982
Base-Backbone interact. energy: -1.223
local terms energy: -106.974394
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -21.381
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -278.005485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.005485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.005485 (E_RNA)
where:
Base-Base interactions energy: -179.906
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.157
local terms energy: -97.943144
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -285.732219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.732219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.732219 (E_RNA)
where:
Base-Base interactions energy: -200.942
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.137
local terms energy: -84.653854
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -18.193
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: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -243.817645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.817645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.817645 (E_RNA)
where:
Base-Base interactions energy: -162.236
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.556
local terms energy: -81.026233
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -204.101943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.101943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101943 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -64.351
Base-Backbone interact. energy: 0.575
local terms energy: -78.287232
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -207.846168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.846168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.846168 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.985
local terms energy: -87.655607
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -15.506
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: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -113.878768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.878768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.878768 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -31.395
Base-Backbone interact. energy: 0.781
local terms energy: -78.062160
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -352.612874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.612874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.612874 (E_RNA)
where:
Base-Base interactions energy: -232.684
where: short stacking energy: -107.449
Base-Backbone interact. energy: -0.999
local terms energy: -118.929904
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -33.141
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: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -326.787160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.787160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.787160 (E_RNA)
where:
Base-Base interactions energy: -224.190
where: short stacking energy: -82.980
Base-Backbone interact. energy: -0.640
local terms energy: -101.957241
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -317.179481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.179481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.179481 (E_RNA)
where:
Base-Base interactions energy: -217.424
where: short stacking energy: -104.509
Base-Backbone interact. energy: -0.060
local terms energy: -99.695501
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -287.209908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.209908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.209908 (E_RNA)
where:
Base-Base interactions energy: -180.337
where: short stacking energy: -79.410
Base-Backbone interact. energy: 0.918
local terms energy: -107.790904
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -22.549
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: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -319.644967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.644967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.644967 (E_RNA)
where:
Base-Base interactions energy: -221.183
where: short stacking energy: -94.244
Base-Backbone interact. energy: -0.208
local terms energy: -98.253521
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -261.292527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.292527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.292527 (E_RNA)
where:
Base-Base interactions energy: -177.557
where: short stacking energy: -85.439
Base-Backbone interact. energy: 0.535
local terms energy: -84.270640
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -21.356
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: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -284.839462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.839462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.839462 (E_RNA)
where:
Base-Base interactions energy: -183.703
where: short stacking energy: -89.839
Base-Backbone interact. energy: 0.638
local terms energy: -101.773958
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -25.590
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: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -218.330448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330448 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.194
local terms energy: -87.613719
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -14.767
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: 251
Temperature: 1.300000
Total energy: -195.317022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.317022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.317022 (E_RNA)
where:
Base-Base interactions energy: -117.954
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.394
local terms energy: -76.968543
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -121.511117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.511117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.511117 (E_RNA)
where:
Base-Base interactions energy: -43.708
where: short stacking energy: -39.680
Base-Backbone interact. energy: -0.114
local terms energy: -77.689081
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -355.539834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.539834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.539834 (E_RNA)
where:
Base-Base interactions energy: -242.627
where: short stacking energy: -89.827
Base-Backbone interact. energy: -1.389
local terms energy: -111.523506
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -335.790275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.790275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.790275 (E_RNA)
where:
Base-Base interactions energy: -225.451
where: short stacking energy: -90.403
Base-Backbone interact. energy: -1.287
local terms energy: -109.051681
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -26.791
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: 252
Temperature: 1.000000
Total energy: -320.002583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.002583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.002583 (E_RNA)
where:
Base-Base interactions energy: -203.286
where: short stacking energy: -92.631
Base-Backbone interact. energy: -0.059
local terms energy: -116.658386
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -297.091126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.091126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.091126 (E_RNA)
where:
Base-Base interactions energy: -191.839
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.363
local terms energy: -104.889170
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -279.852802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.852802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.852802 (E_RNA)
where:
Base-Base interactions energy: -189.726
where: short stacking energy: -78.966
Base-Backbone interact. energy: -0.236
local terms energy: -89.890565
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -15.240
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: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -293.908955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.908955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.908955 (E_RNA)
where:
Base-Base interactions energy: -194.883
where: short stacking energy: -83.632
Base-Backbone interact. energy: -0.448
local terms energy: -98.578242
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -14.879
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: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -251.293351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.293351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.293351 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.059
local terms energy: -87.017230
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -11.325
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: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -201.447237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.447237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.447237 (E_RNA)
where:
Base-Base interactions energy: -121.090
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.090
local terms energy: -80.267117
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -191.847078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847078 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.033
local terms energy: -76.768869
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -128.901893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.901893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.901893 (E_RNA)
where:
Base-Base interactions energy: -69.622
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.122
local terms energy: -59.157898
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -14.336
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: 253
Temperature: 0.900000
Total energy: -351.914552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.914552 (E_RNA)
where:
Base-Base interactions energy: -237.082
where: short stacking energy: -95.095
Base-Backbone interact. energy: -1.630
local terms energy: -113.202750
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -30.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -337.432851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.432851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.432851 (E_RNA)
where:
Base-Base interactions energy: -237.314
where: short stacking energy: -95.264
Base-Backbone interact. energy: -0.664
local terms energy: -99.454406
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -14.732
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -310.288676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.288676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.288676 (E_RNA)
where:
Base-Base interactions energy: -211.087
where: short stacking energy: -89.594
Base-Backbone interact. energy: -0.153
local terms energy: -99.049152
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -26.473
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -294.621129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.621129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.621129 (E_RNA)
where:
Base-Base interactions energy: -195.976
where: short stacking energy: -96.062
Base-Backbone interact. energy: -0.516
local terms energy: -98.129272
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -286.731318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.731318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.731318 (E_RNA)
where:
Base-Base interactions energy: -176.437
where: short stacking energy: -93.750
Base-Backbone interact. energy: -0.175
local terms energy: -110.119324
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -14.526
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: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -279.218399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.218399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.218399 (E_RNA)
where:
Base-Base interactions energy: -206.174
where: short stacking energy: -88.611
Base-Backbone interact. energy: -0.295
local terms energy: -72.749974
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.907
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: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -261.498348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.498348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.498348 (E_RNA)
where:
Base-Base interactions energy: -166.386
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.052
local terms energy: -95.060211
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -206.437195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.437195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.437195 (E_RNA)
where:
Base-Base interactions energy: -124.500
where: short stacking energy: -55.864
Base-Backbone interact. energy: 0.349
local terms energy: -82.286395
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -10.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -204.605739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605739 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -60.009
Base-Backbone interact. energy: 0.944
local terms energy: -89.045450
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -17.007
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: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -107.333017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.333017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.333017 (E_RNA)
where:
Base-Base interactions energy: -41.912
where: short stacking energy: -19.244
Base-Backbone interact. energy: -0.647
local terms energy: -64.774955
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: 3.479
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: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -346.906650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.906650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.906650 (E_RNA)
where:
Base-Base interactions energy: -230.023
where: short stacking energy: -102.222
Base-Backbone interact. energy: -0.270
local terms energy: -116.612905
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -344.216764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.216764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.216764 (E_RNA)
where:
Base-Base interactions energy: -228.772
where: short stacking energy: -92.932
Base-Backbone interact. energy: -1.036
local terms energy: -114.408340
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -324.178819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.178819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.178819 (E_RNA)
where:
Base-Base interactions energy: -213.711
where: short stacking energy: -99.067
Base-Backbone interact. energy: -0.182
local terms energy: -110.286031
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -27.915
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -294.189025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.189025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.189025 (E_RNA)
where:
Base-Base interactions energy: -192.468
where: short stacking energy: -78.290
Base-Backbone interact. energy: -0.305
local terms energy: -101.415178
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -271.218135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.218135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.218135 (E_RNA)
where:
Base-Base interactions energy: -172.145
where: short stacking energy: -80.348
Base-Backbone interact. energy: -0.455
local terms energy: -98.618045
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -295.528196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.528196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.528196 (E_RNA)
where:
Base-Base interactions energy: -201.001
where: short stacking energy: -91.594
Base-Backbone interact. energy: -0.342
local terms energy: -94.184658
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -26.333
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: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -259.770638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.770638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.770638 (E_RNA)
where:
Base-Base interactions energy: -157.880
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.269
local terms energy: -101.621418
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -223.103939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103939 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -63.599
Base-Backbone interact. energy: 0.865
local terms energy: -77.326566
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: 1.709
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -227.873427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.873427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.873427 (E_RNA)
where:
Base-Base interactions energy: -148.325
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.121
local terms energy: -79.427752
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -100.742408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.742408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.742408 (E_RNA)
where:
Base-Base interactions energy: -32.523
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.547
local terms energy: -67.672121
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: 4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -341.474600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.474600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.474600 (E_RNA)
where:
Base-Base interactions energy: -234.040
where: short stacking energy: -98.221
Base-Backbone interact. energy: -0.544
local terms energy: -106.890989
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -350.672783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.672783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.672783 (E_RNA)
where:
Base-Base interactions energy: -242.049
where: short stacking energy: -94.782
Base-Backbone interact. energy: -1.738
local terms energy: -106.885881
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -307.167184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.167184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.167184 (E_RNA)
where:
Base-Base interactions energy: -205.556
where: short stacking energy: -82.527
Base-Backbone interact. energy: -0.557
local terms energy: -101.053299
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -292.543993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.543993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.543993 (E_RNA)
where:
Base-Base interactions energy: -192.076
where: short stacking energy: -88.888
Base-Backbone interact. energy: -0.169
local terms energy: -100.299375
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -274.086163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.086163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.086163 (E_RNA)
where:
Base-Base interactions energy: -171.168
where: short stacking energy: -90.238
Base-Backbone interact. energy: -0.625
local terms energy: -102.293682
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -22.664
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -258.479934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.479934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.479934 (E_RNA)
where:
Base-Base interactions energy: -173.678
where: short stacking energy: -70.388
Base-Backbone interact. energy: 0.979
local terms energy: -85.780468
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.697
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: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -251.642837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.642837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.642837 (E_RNA)
where:
Base-Base interactions energy: -164.135
where: short stacking energy: -75.113
Base-Backbone interact. energy: 1.468
local terms energy: -88.976778
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -261.859574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.859574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.859574 (E_RNA)
where:
Base-Base interactions energy: -172.313
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.345
local terms energy: -89.201317
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -12.790
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -233.304846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.304846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.304846 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -70.338
Base-Backbone interact. energy: -0.157
local terms energy: -86.616655
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -122.596698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.596698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.596698 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.070
local terms energy: -45.526472
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -363.013676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.013676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.013676 (E_RNA)
where:
Base-Base interactions energy: -249.182
where: short stacking energy: -95.784
Base-Backbone interact. energy: -2.119
local terms energy: -111.713294
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -24.064
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: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -333.429237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.429237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.429237 (E_RNA)
where:
Base-Base interactions energy: -224.073
where: short stacking energy: -97.518
Base-Backbone interact. energy: -0.673
local terms energy: -108.683075
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -26.048
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -288.860626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.860626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.860626 (E_RNA)
where:
Base-Base interactions energy: -183.804
where: short stacking energy: -84.401
Base-Backbone interact. energy: -0.613
local terms energy: -104.443401
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -312.222300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.222300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.222300 (E_RNA)
where:
Base-Base interactions energy: -206.746
where: short stacking energy: -93.925
Base-Backbone interact. energy: -0.313
local terms energy: -105.163749
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -27.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -282.963394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.963394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.963394 (E_RNA)
where:
Base-Base interactions energy: -177.240
where: short stacking energy: -94.461
Base-Backbone interact. energy: -0.030
local terms energy: -105.693719
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -247.564979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.564979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.564979 (E_RNA)
where:
Base-Base interactions energy: -158.926
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.586
local terms energy: -88.052867
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -259.079976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.079976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.079976 (E_RNA)
where:
Base-Base interactions energy: -168.266
where: short stacking energy: -73.466
Base-Backbone interact. energy: -0.116
local terms energy: -90.697776
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -252.394417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394417 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.082
local terms energy: -89.150529
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -14.140
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: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -233.168192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.168192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.168192 (E_RNA)
where:
Base-Base interactions energy: -146.735
where: short stacking energy: -70.132
Base-Backbone interact. energy: 0.984
local terms energy: -87.416615
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -101.060082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.060082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.060082 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -28.332
Base-Backbone interact. energy: 0.585
local terms energy: -49.314895
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: 6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -364.588110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.588110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.588110 (E_RNA)
where:
Base-Base interactions energy: -246.799
where: short stacking energy: -98.895
Base-Backbone interact. energy: 0.609
local terms energy: -118.398274
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -25.819
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: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -307.421424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.421424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.421424 (E_RNA)
where:
Base-Base interactions energy: -196.999
where: short stacking energy: -90.573
Base-Backbone interact. energy: -0.096
local terms energy: -110.326128
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -310.188140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.188140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.188140 (E_RNA)
where:
Base-Base interactions energy: -210.629
where: short stacking energy: -77.118
Base-Backbone interact. energy: 0.006
local terms energy: -99.565004
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -19.317
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -297.851977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.851977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.851977 (E_RNA)
where:
Base-Base interactions energy: -186.868
where: short stacking energy: -91.179
Base-Backbone interact. energy: -0.171
local terms energy: -110.812857
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -298.271632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.271632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.271632 (E_RNA)
where:
Base-Base interactions energy: -202.247
where: short stacking energy: -89.606
Base-Backbone interact. energy: -0.258
local terms energy: -95.766570
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -262.948294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.948294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.948294 (E_RNA)
where:
Base-Base interactions energy: -174.505
where: short stacking energy: -82.237
Base-Backbone interact. energy: -0.055
local terms energy: -88.388122
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -252.370366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.370366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.370366 (E_RNA)
where:
Base-Base interactions energy: -172.011
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.116
local terms energy: -80.243725
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -250.209718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.209718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.209718 (E_RNA)
where:
Base-Base interactions energy: -158.004
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.358
local terms energy: -91.847675
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -255.065154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.065154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.065154 (E_RNA)
where:
Base-Base interactions energy: -173.149
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.543
local terms energy: -81.373385
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -5.859
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: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -111.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.081094 (E_RNA)
where:
Base-Base interactions energy: -49.163
where: short stacking energy: -32.827
Base-Backbone interact. energy: 0.199
local terms energy: -62.117397
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -358.110195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.110195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.110195 (E_RNA)
where:
Base-Base interactions energy: -248.443
where: short stacking energy: -91.387
Base-Backbone interact. energy: -0.328
local terms energy: -109.339801
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -18.408
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -310.355472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.355472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.355472 (E_RNA)
where:
Base-Base interactions energy: -201.693
where: short stacking energy: -94.053
Base-Backbone interact. energy: -0.450
local terms energy: -108.212444
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -26.507
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: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -316.332602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.332602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.332602 (E_RNA)
where:
Base-Base interactions energy: -212.803
where: short stacking energy: -85.964
Base-Backbone interact. energy: 0.138
local terms energy: -103.667539
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -291.836967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.836967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.836967 (E_RNA)
where:
Base-Base interactions energy: -187.128
where: short stacking energy: -95.429
Base-Backbone interact. energy: 1.172
local terms energy: -105.880915
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -292.853468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.853468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.853468 (E_RNA)
where:
Base-Base interactions energy: -202.208
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.222
local terms energy: -90.423224
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -268.897528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.897528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.897528 (E_RNA)
where:
Base-Base interactions energy: -169.465
where: short stacking energy: -89.627
Base-Backbone interact. energy: 2.995
local terms energy: -102.427853
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -247.573713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.573713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.573713 (E_RNA)
where:
Base-Base interactions energy: -152.893
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.293
local terms energy: -94.387679
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -16.808
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: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -242.276358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.276358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.276358 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -75.896
Base-Backbone interact. energy: -0.436
local terms energy: -85.697491
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -21.312
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: 258
Temperature: 1.300000
Total energy: -242.045740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.045740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.045740 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.065
local terms energy: -86.188045
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -113.516445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.516445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.516445 (E_RNA)
where:
Base-Base interactions energy: -47.275
where: short stacking energy: -46.851
Base-Backbone interact. energy: -1.284
local terms energy: -64.957275
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -1.688
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: 259
Temperature: 0.900000
Total energy: -360.370883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.370883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.370883 (E_RNA)
where:
Base-Base interactions energy: -256.849
where: short stacking energy: -103.078
Base-Backbone interact. energy: -0.963
local terms energy: -102.558641
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -323.053585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.053585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.053585 (E_RNA)
where:
Base-Base interactions energy: -209.150
where: short stacking energy: -98.366
Base-Backbone interact. energy: -0.292
local terms energy: -113.611345
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -290.988353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.988353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.988353 (E_RNA)
where:
Base-Base interactions energy: -188.685
where: short stacking energy: -80.226
Base-Backbone interact. energy: -0.426
local terms energy: -101.877306
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -21.337
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: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -291.747191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.747191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.747191 (E_RNA)
where:
Base-Base interactions energy: -194.460
where: short stacking energy: -93.951
Base-Backbone interact. energy: -0.273
local terms energy: -97.013423
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -14.697
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: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -273.447806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.447806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.447806 (E_RNA)
where:
Base-Base interactions energy: -174.517
where: short stacking energy: -88.668
Base-Backbone interact. energy: -0.289
local terms energy: -98.641753
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -19.194
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: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -262.723034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.723034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.723034 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.599
local terms energy: -94.572908
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -250.614789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.614789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.614789 (E_RNA)
where:
Base-Base interactions energy: -164.802
where: short stacking energy: -74.633
Base-Backbone interact. energy: 0.059
local terms energy: -85.872301
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -248.030184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030184 (E_RNA)
where:
Base-Base interactions energy: -168.189
where: short stacking energy: -78.925
Base-Backbone interact. energy: -0.453
local terms energy: -79.388366
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -225.917190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.917190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.917190 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.065
local terms energy: -80.613336
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -110.686725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.686725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.686725 (E_RNA)
where:
Base-Base interactions energy: -45.215
where: short stacking energy: -20.904
Base-Backbone interact. energy: 0.093
local terms energy: -65.564466
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: 5.330
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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -322.512439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.512439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.512439 (E_RNA)
where:
Base-Base interactions energy: -209.866
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.652
local terms energy: -111.994305
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -344.995270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.995270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.995270 (E_RNA)
where:
Base-Base interactions energy: -238.098
where: short stacking energy: -92.839
Base-Backbone interact. energy: -0.145
local terms energy: -106.751952
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -29.846
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: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -323.338378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.338378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.338378 (E_RNA)
where:
Base-Base interactions energy: -215.471
where: short stacking energy: -91.804
Base-Backbone interact. energy: -0.122
local terms energy: -107.745216
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -291.956855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.956855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.956855 (E_RNA)
where:
Base-Base interactions energy: -178.114
where: short stacking energy: -89.513
Base-Backbone interact. energy: -0.851
local terms energy: -112.991211
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -25.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -265.492651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.492651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.492651 (E_RNA)
where:
Base-Base interactions energy: -168.985
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.160
local terms energy: -96.347624
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -22.676
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: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -264.747364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.747364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.747364 (E_RNA)
where:
Base-Base interactions energy: -168.546
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.021
local terms energy: -96.180035
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -256.743568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.743568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.743568 (E_RNA)
where:
Base-Base interactions energy: -166.443
where: short stacking energy: -80.274
Base-Backbone interact. energy: -0.150
local terms energy: -90.150648
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -24.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -247.552306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.552306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.552306 (E_RNA)
where:
Base-Base interactions energy: -168.978
where: short stacking energy: -64.756
Base-Backbone interact. energy: 0.658
local terms energy: -79.231918
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -221.111941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.111941 (E_RNA)
where:
Base-Base interactions energy: -143.153
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.543
local terms energy: -77.416449
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -117.711624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.711624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.711624 (E_RNA)
where:
Base-Base interactions energy: -41.261
where: short stacking energy: -29.919
Base-Backbone interact. energy: 2.833
local terms energy: -79.283134
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: 2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -336.268128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.268128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.268128 (E_RNA)
where:
Base-Base interactions energy: -221.744
where: short stacking energy: -101.659
Base-Backbone interact. energy: -0.074
local terms energy: -114.450087
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -333.614076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.614076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.614076 (E_RNA)
where:
Base-Base interactions energy: -217.259
where: short stacking energy: -92.800
Base-Backbone interact. energy: -0.055
local terms energy: -116.299608
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -340.882986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.882986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.882986 (E_RNA)
where:
Base-Base interactions energy: -235.800
where: short stacking energy: -92.641
Base-Backbone interact. energy: -0.104
local terms energy: -104.979034
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -291.835647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.835647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.835647 (E_RNA)
where:
Base-Base interactions energy: -187.102
where: short stacking energy: -104.000
Base-Backbone interact. energy: -0.083
local terms energy: -104.650623
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -30.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -269.248248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.248248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.248248 (E_RNA)
where:
Base-Base interactions energy: -176.796
where: short stacking energy: -80.091
Base-Backbone interact. energy: -0.352
local terms energy: -92.100346
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -271.391173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.391173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.391173 (E_RNA)
where:
Base-Base interactions energy: -165.729
where: short stacking energy: -86.755
Base-Backbone interact. energy: -0.846
local terms energy: -104.816385
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -28.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -273.792671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.792671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.792671 (E_RNA)
where:
Base-Base interactions energy: -180.845
where: short stacking energy: -80.282
Base-Backbone interact. energy: -0.213
local terms energy: -92.734599
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -261.352425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.352425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.352425 (E_RNA)
where:
Base-Base interactions energy: -167.348
where: short stacking energy: -87.563
Base-Backbone interact. energy: -0.220
local terms energy: -93.783984
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -13.871
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: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -237.272286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.272286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.272286 (E_RNA)
where:
Base-Base interactions energy: -153.870
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.684
local terms energy: -82.718708
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -16.851
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: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -114.576413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.576413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.576413 (E_RNA)
where:
Base-Base interactions energy: -35.481
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.455
local terms energy: -78.640010
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -9.923
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -340.106170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.106170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.106170 (E_RNA)
where:
Base-Base interactions energy: -222.317
where: short stacking energy: -111.024
Base-Backbone interact. energy: -0.027
local terms energy: -117.762576
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -329.250381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.250381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.250381 (E_RNA)
where:
Base-Base interactions energy: -229.063
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.129
local terms energy: -100.058049
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -349.987612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.987612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.987612 (E_RNA)
where:
Base-Base interactions energy: -242.800
where: short stacking energy: -92.068
Base-Backbone interact. energy: -0.189
local terms energy: -106.998335
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -276.184901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.184901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.184901 (E_RNA)
where:
Base-Base interactions energy: -176.375
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.127
local terms energy: -99.683039
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -7.519
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: 262
Temperature: 1.100000
Total energy: -269.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.650581 (E_RNA)
where:
Base-Base interactions energy: -177.424
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.880
local terms energy: -91.347106
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -262.958394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.958394 (E_RNA)
where:
Base-Base interactions energy: -171.286
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.211
local terms energy: -91.460616
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -11.083
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: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -243.172693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.172693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.172693 (E_RNA)
where:
Base-Base interactions energy: -159.125
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.230
local terms energy: -83.817914
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -258.206119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.206119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.206119 (E_RNA)
where:
Base-Base interactions energy: -163.437
where: short stacking energy: -76.139
Base-Backbone interact. energy: -0.564
local terms energy: -94.206047
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -239.178771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.178771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.178771 (E_RNA)
where:
Base-Base interactions energy: -170.386
where: short stacking energy: -80.636
Base-Backbone interact. energy: -0.273
local terms energy: -68.520148
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -7.897
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -13.966
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: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -111.324854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.324854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.324854 (E_RNA)
where:
Base-Base interactions energy: -49.425
where: short stacking energy: -26.110
Base-Backbone interact. energy: 0.327
local terms energy: -62.227595
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: 5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -330.981968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.981968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.981968 (E_RNA)
where:
Base-Base interactions energy: -214.958
where: short stacking energy: -99.862
Base-Backbone interact. energy: -0.067
local terms energy: -115.957750
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -26.112
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -18.266
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: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -355.953897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.953897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.953897 (E_RNA)
where:
Base-Base interactions energy: -249.908
where: short stacking energy: -93.252
Base-Backbone interact. energy: -0.647
local terms energy: -105.398746
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -316.674741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.674741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.674741 (E_RNA)
where:
Base-Base interactions energy: -210.664
where: short stacking energy: -85.635
Base-Backbone interact. energy: 0.812
local terms energy: -106.822906
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -25.059
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: 263
Temperature: 1.050000
Total energy: -273.858060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.858060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.858060 (E_RNA)
where:
Base-Base interactions energy: -182.873
where: short stacking energy: -91.022
Base-Backbone interact. energy: -0.181
local terms energy: -90.804749
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -260.723926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.723926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.723926 (E_RNA)
where:
Base-Base interactions energy: -171.037
where: short stacking energy: -76.540
Base-Backbone interact. energy: -0.274
local terms energy: -89.412413
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -268.941061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.941061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.941061 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -77.938
Base-Backbone interact. energy: 0.025
local terms energy: -87.454736
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -13.795
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -257.227484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.227484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.227484 (E_RNA)
where:
Base-Base interactions energy: -165.820
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.135
local terms energy: -91.272615
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -246.722376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.722376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.722376 (E_RNA)
where:
Base-Base interactions energy: -161.147
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.460
local terms energy: -85.116237
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -221.566337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566337 (E_RNA)
where:
Base-Base interactions energy: -137.196
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.120
local terms energy: -84.249992
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -113.463785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.463785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.463785 (E_RNA)
where:
Base-Base interactions energy: -38.023
where: short stacking energy: -29.267
Base-Backbone interact. energy: 0.134
local terms energy: -75.574808
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: 0.644
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: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -351.131775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.131775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.131775 (E_RNA)
where:
Base-Base interactions energy: -235.828
where: short stacking energy: -97.635
Base-Backbone interact. energy: -0.115
local terms energy: -115.189038
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -18.790
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: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -334.317474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.317474 (E_RNA)
where:
Base-Base interactions energy: -218.079
where: short stacking energy: -95.735
Base-Backbone interact. energy: -0.093
local terms energy: -116.145098
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -25.761
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: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -327.901860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.901860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.901860 (E_RNA)
where:
Base-Base interactions energy: -219.749
where: short stacking energy: -81.657
Base-Backbone interact. energy: -0.374
local terms energy: -107.779446
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -287.003554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.003554 (E_RNA)
where:
Base-Base interactions energy: -188.874
where: short stacking energy: -86.347
Base-Backbone interact. energy: -0.752
local terms energy: -97.376767
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -16.136
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -271.784867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.784867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.784867 (E_RNA)
where:
Base-Base interactions energy: -172.246
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.086
local terms energy: -99.452411
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -265.503098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.503098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.503098 (E_RNA)
where:
Base-Base interactions energy: -160.225
where: short stacking energy: -86.374
Base-Backbone interact. energy: -0.145
local terms energy: -105.132632
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -12.404
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: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -265.088904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.088904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.088904 (E_RNA)
where:
Base-Base interactions energy: -183.781
where: short stacking energy: -70.253
Base-Backbone interact. energy: 0.952
local terms energy: -82.259711
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -253.959311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.959311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.959311 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -84.786
Base-Backbone interact. energy: -0.349
local terms energy: -85.920393
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -203.249669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.249669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.249669 (E_RNA)
where:
Base-Base interactions energy: -119.670
where: short stacking energy: -48.514
Base-Backbone interact. energy: 0.717
local terms energy: -84.296730
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -114.848532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.848532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.848532 (E_RNA)
where:
Base-Base interactions energy: -41.736
where: short stacking energy: -35.639
Base-Backbone interact. energy: 0.357
local terms energy: -73.468610
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -2.373
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: 265
Temperature: 0.900000
Total energy: -357.271770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.271770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.271770 (E_RNA)
where:
Base-Base interactions energy: -247.016
where: short stacking energy: -109.742
Base-Backbone interact. energy: -0.281
local terms energy: -109.974705
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -28.368
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: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -339.634856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.634856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.634856 (E_RNA)
where:
Base-Base interactions energy: -232.400
where: short stacking energy: -89.407
Base-Backbone interact. energy: -1.647
local terms energy: -105.588585
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -24.503
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: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -314.627667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.627667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.627667 (E_RNA)
where:
Base-Base interactions energy: -222.055
where: short stacking energy: -92.820
Base-Backbone interact. energy: 1.568
local terms energy: -94.140256
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -289.325304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.325304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.325304 (E_RNA)
where:
Base-Base interactions energy: -191.300
where: short stacking energy: -79.868
Base-Backbone interact. energy: -0.089
local terms energy: -97.936530
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -19.538
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: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -282.993660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.993660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.993660 (E_RNA)
where:
Base-Base interactions energy: -177.663
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.037
local terms energy: -105.293863
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -270.588497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.588497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.588497 (E_RNA)
where:
Base-Base interactions energy: -176.190
where: short stacking energy: -90.799
Base-Backbone interact. energy: -0.052
local terms energy: -94.347017
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -217.286390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.286390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.286390 (E_RNA)
where:
Base-Base interactions energy: -133.711
where: short stacking energy: -66.950
Base-Backbone interact. energy: -0.324
local terms energy: -83.251655
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -253.155477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.155477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.155477 (E_RNA)
where:
Base-Base interactions energy: -166.045
where: short stacking energy: -76.342
Base-Backbone interact. energy: -0.065
local terms energy: -87.044907
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -11.816
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: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -232.270055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.270055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.270055 (E_RNA)
where:
Base-Base interactions energy: -157.988
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.162
local terms energy: -74.119987
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -14.881
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -101.208584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.208584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.208584 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.882
local terms energy: -62.870399
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: 3.082
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: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -358.706622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.706622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.706622 (E_RNA)
where:
Base-Base interactions energy: -238.073
where: short stacking energy: -99.443
Base-Backbone interact. energy: -0.898
local terms energy: -119.735643
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -17.020
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -333.731684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.731684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.731684 (E_RNA)
where:
Base-Base interactions energy: -222.888
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.311
local terms energy: -110.532423
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -325.110127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.110127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.110127 (E_RNA)
where:
Base-Base interactions energy: -219.558
where: short stacking energy: -103.790
Base-Backbone interact. energy: -0.332
local terms energy: -105.219800
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -258.724420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.724420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.724420 (E_RNA)
where:
Base-Base interactions energy: -143.246
where: short stacking energy: -77.001
Base-Backbone interact. energy: -0.349
local terms energy: -115.129064
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -26.853
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -287.684480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.684480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.684480 (E_RNA)
where:
Base-Base interactions energy: -186.368
where: short stacking energy: -93.869
Base-Backbone interact. energy: -0.039
local terms energy: -101.277341
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -11.100
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: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -260.865206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.865206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.865206 (E_RNA)
where:
Base-Base interactions energy: -180.085
where: short stacking energy: -87.709
Base-Backbone interact. energy: 1.255
local terms energy: -82.036045
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -274.043365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.043365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.043365 (E_RNA)
where:
Base-Base interactions energy: -179.488
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.124
local terms energy: -94.431507
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -213.241882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.241882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.241882 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -70.187
Base-Backbone interact. energy: -1.145
local terms energy: -80.180831
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -249.769067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.769067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.769067 (E_RNA)
where:
Base-Base interactions energy: -167.043
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.285
local terms energy: -82.441820
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -112.413772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.413772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.413772 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.333
local terms energy: -67.764492
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -360.568353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.568353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.568353 (E_RNA)
where:
Base-Base interactions energy: -240.120
where: short stacking energy: -114.095
Base-Backbone interact. energy: -1.589
local terms energy: -118.860188
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -25.174
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -316.370009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.370009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.370009 (E_RNA)
where:
Base-Base interactions energy: -209.251
where: short stacking energy: -94.000
Base-Backbone interact. energy: 0.129
local terms energy: -107.248697
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -330.303939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.303939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.303939 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -95.103
Base-Backbone interact. energy: -0.538
local terms energy: -104.710125
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -17.201
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: 267
Temperature: 1.050000
Total energy: -278.182036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.182036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.182036 (E_RNA)
where:
Base-Base interactions energy: -178.307
where: short stacking energy: -83.783
Base-Backbone interact. energy: -0.345
local terms energy: -99.529437
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -260.881524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.881524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.881524 (E_RNA)
where:
Base-Base interactions energy: -168.967
where: short stacking energy: -87.453
Base-Backbone interact. energy: -0.271
local terms energy: -91.644056
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -272.167912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.167912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.167912 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -75.799
Base-Backbone interact. energy: -1.692
local terms energy: -100.433144
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -251.297287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.297287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.297287 (E_RNA)
where:
Base-Base interactions energy: -160.450
where: short stacking energy: -80.608
Base-Backbone interact. energy: -0.024
local terms energy: -90.823009
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -238.148797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.148797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.148797 (E_RNA)
where:
Base-Base interactions energy: -151.652
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.451
local terms energy: -86.046154
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -14.717
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: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -229.479592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.479592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.479592 (E_RNA)
where:
Base-Base interactions energy: -141.246
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.430
local terms energy: -87.803695
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -106.600399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600399 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.223
local terms energy: -63.435910
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -327.411212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.411212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.411212 (E_RNA)
where:
Base-Base interactions energy: -215.778
where: short stacking energy: -98.507
Base-Backbone interact. energy: -1.252
local terms energy: -110.381046
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -23.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -342.917192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.917192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.917192 (E_RNA)
where:
Base-Base interactions energy: -238.557
where: short stacking energy: -91.153
Base-Backbone interact. energy: -2.414
local terms energy: -101.946792
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -15.937
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: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -319.809483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.809483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.809483 (E_RNA)
where:
Base-Base interactions energy: -217.349
where: short stacking energy: -102.264
Base-Backbone interact. energy: -0.421
local terms energy: -102.039892
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -24.145
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: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -277.399646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.399646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.399646 (E_RNA)
where:
Base-Base interactions energy: -183.516
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.079
local terms energy: -93.804657
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -14.175
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: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -283.377394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.377394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.377394 (E_RNA)
where:
Base-Base interactions energy: -177.897
where: short stacking energy: -80.302
Base-Backbone interact. energy: -0.127
local terms energy: -105.353393
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -13.997
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: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -255.242820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.242820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.242820 (E_RNA)
where:
Base-Base interactions energy: -163.913
where: short stacking energy: -73.633
Base-Backbone interact. energy: -0.216
local terms energy: -91.113844
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -19.550
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -208.561525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.561525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.561525 (E_RNA)
where:
Base-Base interactions energy: -117.726
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.334
local terms energy: -90.501283
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -17.643
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: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -246.352943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.352943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.352943 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.153
local terms energy: -91.555467
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -215.313598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.313598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.313598 (E_RNA)
where:
Base-Base interactions energy: -138.782
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.191
local terms energy: -76.341095
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -11.185
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -129.062473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.062473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.062473 (E_RNA)
where:
Base-Base interactions energy: -60.893
where: short stacking energy: -32.296
Base-Backbone interact. energy: -1.029
local terms energy: -67.140597
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -320.719021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.719021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.719021 (E_RNA)
where:
Base-Base interactions energy: -212.041
where: short stacking energy: -96.944
Base-Backbone interact. energy: -0.466
local terms energy: -108.212856
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -15.340
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: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -321.142764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.142764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.142764 (E_RNA)
where:
Base-Base interactions energy: -215.710
where: short stacking energy: -85.425
Base-Backbone interact. energy: -0.228
local terms energy: -105.204372
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -332.743005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.743005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.743005 (E_RNA)
where:
Base-Base interactions energy: -225.300
where: short stacking energy: -93.646
Base-Backbone interact. energy: -1.503
local terms energy: -105.940570
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -282.055305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.055305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.055305 (E_RNA)
where:
Base-Base interactions energy: -178.507
where: short stacking energy: -81.814
Base-Backbone interact. energy: -0.855
local terms energy: -102.693270
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -13.248
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: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -283.946764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.946764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.946764 (E_RNA)
where:
Base-Base interactions energy: -187.676
where: short stacking energy: -93.819
Base-Backbone interact. energy: -0.227
local terms energy: -96.044158
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.826
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: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -253.132916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.132916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.132916 (E_RNA)
where:
Base-Base interactions energy: -155.008
where: short stacking energy: -78.260
Base-Backbone interact. energy: 0.336
local terms energy: -98.460566
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -17.360
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: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -250.699729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.699729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.699729 (E_RNA)
where:
Base-Base interactions energy: -163.796
where: short stacking energy: -78.362
Base-Backbone interact. energy: 0.038
local terms energy: -86.941149
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -214.707857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.707857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.707857 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.066
local terms energy: -92.193650
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -7.292
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: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -220.539334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.539334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.539334 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.205
local terms energy: -73.655026
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -161.718037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.718037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.718037 (E_RNA)
where:
Base-Base interactions energy: -87.453
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.121
local terms energy: -74.144206
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -8.917
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: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -335.738509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.738509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.738509 (E_RNA)
where:
Base-Base interactions energy: -228.086
where: short stacking energy: -100.158
Base-Backbone interact. energy: 0.790
local terms energy: -108.441601
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -24.186
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: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -328.294944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.294944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.294944 (E_RNA)
where:
Base-Base interactions energy: -216.807
where: short stacking energy: -100.041
Base-Backbone interact. energy: -0.020
local terms energy: -111.467816
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -26.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -335.518223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.518223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.518223 (E_RNA)
where:
Base-Base interactions energy: -225.458
where: short stacking energy: -97.405
Base-Backbone interact. energy: -0.162
local terms energy: -109.897806
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -27.013
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: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -282.042657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.042657 (E_RNA)
where:
Base-Base interactions energy: -177.093
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.096
local terms energy: -104.852683
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -23.301
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: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -263.963718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.963718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.963718 (E_RNA)
where:
Base-Base interactions energy: -165.649
where: short stacking energy: -89.353
Base-Backbone interact. energy: -0.283
local terms energy: -98.030852
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -262.176137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.176137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.176137 (E_RNA)
where:
Base-Base interactions energy: -163.322
where: short stacking energy: -81.762
Base-Backbone interact. energy: -0.635
local terms energy: -98.218865
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -223.835388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835388 (E_RNA)
where:
Base-Base interactions energy: -139.621
where: short stacking energy: -70.864
Base-Backbone interact. energy: 0.458
local terms energy: -84.672839
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -264.368273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.368273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.368273 (E_RNA)
where:
Base-Base interactions energy: -175.868
where: short stacking energy: -90.202
Base-Backbone interact. energy: -0.140
local terms energy: -88.360562
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -26.272
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: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -210.530574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.530574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530574 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -50.283
Base-Backbone interact. energy: -0.592
local terms energy: -86.887979
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -109.260467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.260467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.260467 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -39.182
Base-Backbone interact. energy: -0.134
local terms energy: -68.287847
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -340.028153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.028153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.028153 (E_RNA)
where:
Base-Base interactions energy: -221.015
where: short stacking energy: -98.961
Base-Backbone interact. energy: -1.327
local terms energy: -117.685979
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -328.463387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.463387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.463387 (E_RNA)
where:
Base-Base interactions energy: -201.113
where: short stacking energy: -98.166
Base-Backbone interact. energy: -0.027
local terms energy: -127.323555
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -341.382170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.382170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.382170 (E_RNA)
where:
Base-Base interactions energy: -229.739
where: short stacking energy: -99.814
Base-Backbone interact. energy: 3.627
local terms energy: -115.269511
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -29.907
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: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -298.788565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.788565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.788565 (E_RNA)
where:
Base-Base interactions energy: -192.121
where: short stacking energy: -89.429
Base-Backbone interact. energy: -0.105
local terms energy: -106.562768
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -19.003
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -272.302337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.302337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.302337 (E_RNA)
where:
Base-Base interactions energy: -172.749
where: short stacking energy: -80.493
Base-Backbone interact. energy: -0.111
local terms energy: -99.441488
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -275.431764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.431764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.431764 (E_RNA)
where:
Base-Base interactions energy: -177.928
where: short stacking energy: -83.191
Base-Backbone interact. energy: -0.158
local terms energy: -97.346216
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -15.621
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: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -204.298408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.298408 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.329
local terms energy: -75.443717
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -8.790
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: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -247.736788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.736788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.736788 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.376
local terms energy: -87.458268
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -208.543625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.543625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.543625 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.307
local terms energy: -80.734825
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -10.048
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -124.890327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.890327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.890327 (E_RNA)
where:
Base-Base interactions energy: -47.427
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.158
local terms energy: -77.304653
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -341.449453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.449453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.449453 (E_RNA)
where:
Base-Base interactions energy: -231.134
where: short stacking energy: -109.218
Base-Backbone interact. energy: -0.413
local terms energy: -109.902154
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -306.783412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.783412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.783412 (E_RNA)
where:
Base-Base interactions energy: -196.460
where: short stacking energy: -97.055
Base-Backbone interact. energy: -0.108
local terms energy: -110.215551
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -21.458
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: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -334.630113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.630113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.630113 (E_RNA)
where:
Base-Base interactions energy: -225.507
where: short stacking energy: -100.178
Base-Backbone interact. energy: -0.348
local terms energy: -108.774860
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -24.729
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: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -293.372703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.372703 (E_RNA)
where:
Base-Base interactions energy: -197.740
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.351
local terms energy: -95.282100
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -261.749511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.749511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.749511 (E_RNA)
where:
Base-Base interactions energy: -165.440
where: short stacking energy: -90.447
Base-Backbone interact. energy: -0.381
local terms energy: -95.928364
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -14.897
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: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -261.041152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.041152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.041152 (E_RNA)
where:
Base-Base interactions energy: -167.900
where: short stacking energy: -82.230
Base-Backbone interact. energy: 0.965
local terms energy: -94.105553
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -246.380570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.380570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.380570 (E_RNA)
where:
Base-Base interactions energy: -154.782
where: short stacking energy: -71.967
Base-Backbone interact. energy: 0.103
local terms energy: -91.701644
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -213.470955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.470955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.470955 (E_RNA)
where:
Base-Base interactions energy: -121.732
where: short stacking energy: -56.051
Base-Backbone interact. energy: 0.656
local terms energy: -92.395079
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -187.230318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.230318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.230318 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -53.808
Base-Backbone interact. energy: -0.087
local terms energy: -83.676301
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -9.119
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: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -112.851216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.851216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.851216 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -25.808
Base-Backbone interact. energy: 0.495
local terms energy: -83.429542
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -344.646771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.646771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.646771 (E_RNA)
where:
Base-Base interactions energy: -232.230
where: short stacking energy: -108.563
Base-Backbone interact. energy: -0.003
local terms energy: -112.414371
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -11.328
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: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -325.412507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.412507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.412507 (E_RNA)
where:
Base-Base interactions energy: -216.348
where: short stacking energy: -101.289
Base-Backbone interact. energy: -0.098
local terms energy: -108.966597
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -330.054330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.054330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.054330 (E_RNA)
where:
Base-Base interactions energy: -229.602
where: short stacking energy: -79.812
Base-Backbone interact. energy: -0.559
local terms energy: -99.893618
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -294.154419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154419 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -93.370
Base-Backbone interact. energy: -0.026
local terms energy: -107.856928
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -278.777141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.777141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.777141 (E_RNA)
where:
Base-Base interactions energy: -171.980
where: short stacking energy: -89.142
Base-Backbone interact. energy: 0.633
local terms energy: -107.430595
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -250.438764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.438764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.438764 (E_RNA)
where:
Base-Base interactions energy: -170.586
where: short stacking energy: -67.116
Base-Backbone interact. energy: 1.751
local terms energy: -81.604333
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -14.734
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -241.274815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.274815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.274815 (E_RNA)
where:
Base-Base interactions energy: -158.390
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.078
local terms energy: -82.806436
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -207.463377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.463377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.463377 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.518
local terms energy: -75.241255
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -215.668815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.668815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.668815 (E_RNA)
where:
Base-Base interactions energy: -137.333
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.319
local terms energy: -78.016779
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -11.801
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -109.838498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.838498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.838498 (E_RNA)
where:
Base-Base interactions energy: -41.525
where: short stacking energy: -31.343
Base-Backbone interact. energy: -1.083
local terms energy: -67.230546
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -340.418005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.418005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.418005 (E_RNA)
where:
Base-Base interactions energy: -235.577
where: short stacking energy: -102.633
Base-Backbone interact. energy: -0.554
local terms energy: -104.287926
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -334.084283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.084283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.084283 (E_RNA)
where:
Base-Base interactions energy: -226.298
where: short stacking energy: -108.460
Base-Backbone interact. energy: -0.023
local terms energy: -107.763462
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -297.980000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.980000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.980000 (E_RNA)
where:
Base-Base interactions energy: -192.794
where: short stacking energy: -101.170
Base-Backbone interact. energy: -0.700
local terms energy: -104.486490
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -324.321781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.321781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.321781 (E_RNA)
where:
Base-Base interactions energy: -212.816
where: short stacking energy: -93.933
Base-Backbone interact. energy: -0.319
local terms energy: -111.186556
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -290.751509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.751509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.751509 (E_RNA)
where:
Base-Base interactions energy: -192.563
where: short stacking energy: -78.026
Base-Backbone interact. energy: 1.396
local terms energy: -99.584525
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -21.077
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -263.823456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.823456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.823456 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.691
local terms energy: -84.264907
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -9.182
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: 274
Temperature: 1.200000
Total energy: -248.472677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.472677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.472677 (E_RNA)
where:
Base-Base interactions energy: -156.401
where: short stacking energy: -72.537
Base-Backbone interact. energy: 2.136
local terms energy: -94.207720
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -217.070113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.070113 (E_RNA)
where:
Base-Base interactions energy: -129.236
where: short stacking energy: -60.132
Base-Backbone interact. energy: -0.491
local terms energy: -87.343203
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -215.791807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.791807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.791807 (E_RNA)
where:
Base-Base interactions energy: -146.575
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.247
local terms energy: -68.970306
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -110.506966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.506966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.506966 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.363
local terms energy: -69.315575
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -335.752005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.752005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.752005 (E_RNA)
where:
Base-Base interactions energy: -221.346
where: short stacking energy: -98.831
Base-Backbone interact. energy: 0.043
local terms energy: -114.449221
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -26.428
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -333.212887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.212887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.212887 (E_RNA)
where:
Base-Base interactions energy: -225.044
where: short stacking energy: -102.858
Base-Backbone interact. energy: -0.157
local terms energy: -108.012507
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -27.872
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -312.156711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.156711 (E_RNA)
where:
Base-Base interactions energy: -205.759
where: short stacking energy: -85.039
Base-Backbone interact. energy: 1.523
local terms energy: -107.921246
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -23.237
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: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -309.703246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.703246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.703246 (E_RNA)
where:
Base-Base interactions energy: -204.287
where: short stacking energy: -94.174
Base-Backbone interact. energy: -0.155
local terms energy: -105.261977
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -29.117
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: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -319.630168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.630168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.630168 (E_RNA)
where:
Base-Base interactions energy: -214.625
where: short stacking energy: -86.231
Base-Backbone interact. energy: -1.356
local terms energy: -103.649428
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -255.000605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.000605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.000605 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -90.651
Base-Backbone interact. energy: -0.091
local terms energy: -97.208988
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -257.397030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.397030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.397030 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -78.189
Base-Backbone interact. energy: -0.394
local terms energy: -96.430218
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -219.413206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.413206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.413206 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.208
local terms energy: -87.554611
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -12.650
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: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -190.686093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.686093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.686093 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -65.192
Base-Backbone interact. energy: 0.926
local terms energy: -74.680712
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -105.740034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740034 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -29.142
Base-Backbone interact. energy: 0.125
local terms energy: -66.136653
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -1.412
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: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -349.475709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.475709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.475709 (E_RNA)
where:
Base-Base interactions energy: -237.325
where: short stacking energy: -106.697
Base-Backbone interact. energy: -0.243
local terms energy: -111.907559
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -321.617009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.617009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.617009 (E_RNA)
where:
Base-Base interactions energy: -211.849
where: short stacking energy: -93.144
Base-Backbone interact. energy: -0.104
local terms energy: -109.663420
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -316.408620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.408620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.408620 (E_RNA)
where:
Base-Base interactions energy: -206.848
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.978
local terms energy: -108.582061
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -21.918
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -290.655315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.655315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.655315 (E_RNA)
where:
Base-Base interactions energy: -191.499
where: short stacking energy: -84.242
Base-Backbone interact. energy: -0.270
local terms energy: -98.885937
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -332.617707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.617707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.617707 (E_RNA)
where:
Base-Base interactions energy: -219.740
where: short stacking energy: -89.989
Base-Backbone interact. energy: -1.048
local terms energy: -111.829791
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -30.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -299.410948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.410948 (E_RNA)
where:
Base-Base interactions energy: -207.025
where: short stacking energy: -89.939
Base-Backbone interact. energy: -0.329
local terms energy: -92.056867
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -255.206854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.206854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.206854 (E_RNA)
where:
Base-Base interactions energy: -162.605
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.102
local terms energy: -92.499606
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -204.787139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.787139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.787139 (E_RNA)
where:
Base-Base interactions energy: -122.631
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.452
local terms energy: -81.704292
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -9.826
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -194.227405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.227405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.227405 (E_RNA)
where:
Base-Base interactions energy: -115.431
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.206
local terms energy: -78.589998
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.096
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: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -112.188018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.188018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.188018 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.286
local terms energy: -63.767781
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -342.987843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.987843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.987843 (E_RNA)
where:
Base-Base interactions energy: -227.970
where: short stacking energy: -96.308
Base-Backbone interact. energy: -0.539
local terms energy: -114.478673
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -22.322
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -314.029873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.029873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.029873 (E_RNA)
where:
Base-Base interactions energy: -206.486
where: short stacking energy: -91.839
Base-Backbone interact. energy: -0.885
local terms energy: -106.658555
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -322.772148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.772148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.772148 (E_RNA)
where:
Base-Base interactions energy: -211.388
where: short stacking energy: -101.426
Base-Backbone interact. energy: -0.111
local terms energy: -111.273054
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -30.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -350.754765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.754765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.754765 (E_RNA)
where:
Base-Base interactions energy: -236.473
where: short stacking energy: -112.368
Base-Backbone interact. energy: -0.151
local terms energy: -114.131312
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -33.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -278.298908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.298908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.298908 (E_RNA)
where:
Base-Base interactions energy: -185.555
where: short stacking energy: -80.406
Base-Backbone interact. energy: -0.397
local terms energy: -92.346945
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -17.640
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -255.308123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.308123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.308123 (E_RNA)
where:
Base-Base interactions energy: -182.429
where: short stacking energy: -72.627
Base-Backbone interact. energy: -0.697
local terms energy: -72.182377
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -264.395242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.395242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.395242 (E_RNA)
where:
Base-Base interactions energy: -171.971
where: short stacking energy: -70.982
Base-Backbone interact. energy: 1.323
local terms energy: -93.747129
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -207.059586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.059586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.059586 (E_RNA)
where:
Base-Base interactions energy: -124.593
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.509
local terms energy: -81.957481
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -214.193086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.193086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.193086 (E_RNA)
where:
Base-Base interactions energy: -132.668
where: short stacking energy: -57.086
Base-Backbone interact. energy: 2.025
local terms energy: -83.550257
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -108.312661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.312661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.312661 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -39.649
Base-Backbone interact. energy: 0.661
local terms energy: -68.328196
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -343.762811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.762811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.762811 (E_RNA)
where:
Base-Base interactions energy: -231.786
where: short stacking energy: -97.321
Base-Backbone interact. energy: -0.300
local terms energy: -111.677151
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -27.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -324.445683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.445683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445683 (E_RNA)
where:
Base-Base interactions energy: -212.852
where: short stacking energy: -89.009
Base-Backbone interact. energy: -0.894
local terms energy: -110.699700
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -307.066935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.066935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.066935 (E_RNA)
where:
Base-Base interactions energy: -211.591
where: short stacking energy: -84.725
Base-Backbone interact. energy: -0.428
local terms energy: -95.047138
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -20.238
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: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -323.323592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.323592 (E_RNA)
where:
Base-Base interactions energy: -222.471
where: short stacking energy: -88.914
Base-Backbone interact. energy: 0.407
local terms energy: -101.259870
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -17.794
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: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -289.335401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.335401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.335401 (E_RNA)
where:
Base-Base interactions energy: -183.476
where: short stacking energy: -87.216
Base-Backbone interact. energy: -0.873
local terms energy: -104.986209
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -21.855
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: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -269.916397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.916397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.916397 (E_RNA)
where:
Base-Base interactions energy: -182.097
where: short stacking energy: -86.618
Base-Backbone interact. energy: -0.109
local terms energy: -87.710986
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -13.711
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: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -252.573699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.573699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.573699 (E_RNA)
where:
Base-Base interactions energy: -162.554
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.478
local terms energy: -89.542444
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -209.511470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.511470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.511470 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.668
local terms energy: -72.620739
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -7.514
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: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -214.512736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.512736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.512736 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -64.231
Base-Backbone interact. energy: 0.029
local terms energy: -86.050612
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -12.029
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: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -125.858279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.858279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.858279 (E_RNA)
where:
Base-Base interactions energy: -46.432
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.193
local terms energy: -79.233457
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -10.917
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: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -360.047542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.047542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.047542 (E_RNA)
where:
Base-Base interactions energy: -245.728
where: short stacking energy: -104.407
Base-Backbone interact. energy: -1.068
local terms energy: -113.252181
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -29.839
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -326.230501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.230501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.230501 (E_RNA)
where:
Base-Base interactions energy: -212.228
where: short stacking energy: -96.877
Base-Backbone interact. energy: -0.418
local terms energy: -113.584845
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -27.810
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -333.732642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.732642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.732642 (E_RNA)
where:
Base-Base interactions energy: -228.683
where: short stacking energy: -94.314
Base-Backbone interact. energy: -1.011
local terms energy: -104.038414
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -325.293970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.293970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.293970 (E_RNA)
where:
Base-Base interactions energy: -221.378
where: short stacking energy: -104.211
Base-Backbone interact. energy: -0.013
local terms energy: -103.903712
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -283.467596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.467596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.467596 (E_RNA)
where:
Base-Base interactions energy: -185.569
where: short stacking energy: -90.194
Base-Backbone interact. energy: -1.115
local terms energy: -96.783267
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -25.822
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: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -287.154556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.154556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.154556 (E_RNA)
where:
Base-Base interactions energy: -197.890
where: short stacking energy: -72.746
Base-Backbone interact. energy: -1.007
local terms energy: -88.257306
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -12.165
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: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -279.230934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.230934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.230934 (E_RNA)
where:
Base-Base interactions energy: -175.323
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.817
local terms energy: -103.090990
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -212.170071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.170071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.170071 (E_RNA)
where:
Base-Base interactions energy: -128.146
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.175
local terms energy: -83.849132
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -11.629
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: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -191.210832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.210832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.210832 (E_RNA)
where:
Base-Base interactions energy: -111.213
where: short stacking energy: -53.019
Base-Backbone interact. energy: 0.636
local terms energy: -80.633438
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -127.445823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.445823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.445823 (E_RNA)
where:
Base-Base interactions energy: -51.725
where: short stacking energy: -43.890
Base-Backbone interact. energy: 3.777
local terms energy: -79.498487
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -349.705648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.705648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.705648 (E_RNA)
where:
Base-Base interactions energy: -227.592
where: short stacking energy: -98.996
Base-Backbone interact. energy: -1.848
local terms energy: -120.266064
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -34.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -348.029760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.029760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.029760 (E_RNA)
where:
Base-Base interactions energy: -235.922
where: short stacking energy: -99.228
Base-Backbone interact. energy: -0.158
local terms energy: -111.949600
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -344.131080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.131080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.131080 (E_RNA)
where:
Base-Base interactions energy: -239.481
where: short stacking energy: -113.956
Base-Backbone interact. energy: 2.049
local terms energy: -106.698980
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -290.410532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.410532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.410532 (E_RNA)
where:
Base-Base interactions energy: -183.860
where: short stacking energy: -72.690
Base-Backbone interact. energy: -0.782
local terms energy: -105.768591
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -17.969
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: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -274.706494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.706494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.706494 (E_RNA)
where:
Base-Base interactions energy: -182.458
where: short stacking energy: -82.429
Base-Backbone interact. energy: -0.456
local terms energy: -91.792441
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -261.404275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.404275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.404275 (E_RNA)
where:
Base-Base interactions energy: -163.090
where: short stacking energy: -72.604
Base-Backbone interact. energy: 0.926
local terms energy: -99.240122
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -15.378
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: 280
Temperature: 1.200000
Total energy: -279.012348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.012348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.012348 (E_RNA)
where:
Base-Base interactions energy: -175.065
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.015
local terms energy: -103.932820
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -12.952
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: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -221.828086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.828086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.828086 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.055
local terms energy: -92.546050
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -186.611517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.611517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.611517 (E_RNA)
where:
Base-Base interactions energy: -110.715
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.778
local terms energy: -75.117970
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -102.547923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.547923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.547923 (E_RNA)
where:
Base-Base interactions energy: -29.692
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.170
local terms energy: -72.686011
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -341.762705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.762705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.762705 (E_RNA)
where:
Base-Base interactions energy: -237.687
where: short stacking energy: -100.390
Base-Backbone interact. energy: -0.004
local terms energy: -104.071850
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -16.737
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -349.732843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.732843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.732843 (E_RNA)
where:
Base-Base interactions energy: -241.255
where: short stacking energy: -105.617
Base-Backbone interact. energy: -0.794
local terms energy: -107.683867
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -341.266404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.266404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.266404 (E_RNA)
where:
Base-Base interactions energy: -231.057
where: short stacking energy: -108.071
Base-Backbone interact. energy: -0.277
local terms energy: -109.932220
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -30.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -282.577640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.577640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.577640 (E_RNA)
where:
Base-Base interactions energy: -182.031
where: short stacking energy: -85.095
Base-Backbone interact. energy: -0.128
local terms energy: -100.418255
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -13.225
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: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -293.406169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.406169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.406169 (E_RNA)
where:
Base-Base interactions energy: -194.923
where: short stacking energy: -92.229
Base-Backbone interact. energy: -0.148
local terms energy: -98.335648
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -272.129011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.129011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.129011 (E_RNA)
where:
Base-Base interactions energy: -176.321
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.830
local terms energy: -94.978385
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -25.180
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: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -251.838735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.838735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.838735 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.213
local terms energy: -97.557104
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -214.260905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.260905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.260905 (E_RNA)
where:
Base-Base interactions energy: -130.950
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.344
local terms energy: -82.967479
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -219.447543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.447543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.447543 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -60.712
Base-Backbone interact. energy: -0.265
local terms energy: -80.381238
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -162.061260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.061260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.061260 (E_RNA)
where:
Base-Base interactions energy: -92.468
where: short stacking energy: -42.166
Base-Backbone interact. energy: -2.073
local terms energy: -67.520729
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -347.810481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.810481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.810481 (E_RNA)
where:
Base-Base interactions energy: -229.443
where: short stacking energy: -96.252
Base-Backbone interact. energy: 0.048
local terms energy: -118.414959
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -15.655
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: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -331.625884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.625884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.625884 (E_RNA)
where:
Base-Base interactions energy: -220.811
where: short stacking energy: -95.250
Base-Backbone interact. energy: -0.533
local terms energy: -110.281803
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -308.981468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.981468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.981468 (E_RNA)
where:
Base-Base interactions energy: -203.726
where: short stacking energy: -97.222
Base-Backbone interact. energy: -0.102
local terms energy: -105.154289
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -29.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -330.888988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.888988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.888988 (E_RNA)
where:
Base-Base interactions energy: -220.623
where: short stacking energy: -90.779
Base-Backbone interact. energy: -0.293
local terms energy: -109.973647
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -17.948
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: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -278.167039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.167039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.167039 (E_RNA)
where:
Base-Base interactions energy: -172.862
where: short stacking energy: -83.327
Base-Backbone interact. energy: -0.101
local terms energy: -105.203554
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -266.576384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.576384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.576384 (E_RNA)
where:
Base-Base interactions energy: -184.231
where: short stacking energy: -88.415
Base-Backbone interact. energy: 0.791
local terms energy: -83.136360
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -228.208973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.208973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.208973 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.865
local terms energy: -87.566512
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -249.430053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.430053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.430053 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -60.679
Base-Backbone interact. energy: 0.180
local terms energy: -87.981265
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -13.794
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: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -178.941105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.941105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.941105 (E_RNA)
where:
Base-Base interactions energy: -98.547
where: short stacking energy: -54.600
Base-Backbone interact. energy: 0.896
local terms energy: -81.289361
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -191.137349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.137349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.137349 (E_RNA)
where:
Base-Base interactions energy: -107.393
where: short stacking energy: -46.966
Base-Backbone interact. energy: -0.191
local terms energy: -83.553379
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.338
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: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -346.907147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.907147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.907147 (E_RNA)
where:
Base-Base interactions energy: -236.923
where: short stacking energy: -94.721
Base-Backbone interact. energy: -0.232
local terms energy: -109.752336
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -320.360254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.360254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.360254 (E_RNA)
where:
Base-Base interactions energy: -216.119
where: short stacking energy: -94.588
Base-Backbone interact. energy: 0.332
local terms energy: -104.573033
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -304.211788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.211788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.211788 (E_RNA)
where:
Base-Base interactions energy: -198.038
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.011
local terms energy: -106.162032
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -326.939837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.939837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.939837 (E_RNA)
where:
Base-Base interactions energy: -217.595
where: short stacking energy: -94.730
Base-Backbone interact. energy: -0.364
local terms energy: -108.981352
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -274.763562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.763562 (E_RNA)
where:
Base-Base interactions energy: -173.836
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.917
local terms energy: -100.010300
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -276.263377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.263377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.263377 (E_RNA)
where:
Base-Base interactions energy: -178.091
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.195
local terms energy: -97.977508
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -202.101976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101976 (E_RNA)
where:
Base-Base interactions energy: -112.351
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.732
local terms energy: -89.019206
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -11.625
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -229.431536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.431536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.431536 (E_RNA)
where:
Base-Base interactions energy: -138.507
where: short stacking energy: -80.718
Base-Backbone interact. energy: -0.064
local terms energy: -90.861138
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -14.413
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: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -208.892756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892756 (E_RNA)
where:
Base-Base interactions energy: -130.035
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.719
local terms energy: -78.138878
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -185.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.157895 (E_RNA)
where:
Base-Base interactions energy: -123.328
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.265
local terms energy: -61.565191
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -333.916289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.916289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.916289 (E_RNA)
where:
Base-Base interactions energy: -225.714
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.263
local terms energy: -107.939133
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -352.097395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.097395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.097395 (E_RNA)
where:
Base-Base interactions energy: -242.329
where: short stacking energy: -99.436
Base-Backbone interact. energy: -1.252
local terms energy: -108.516110
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -25.394
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: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -325.579548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.579548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.579548 (E_RNA)
where:
Base-Base interactions energy: -215.161
where: short stacking energy: -95.420
Base-Backbone interact. energy: -1.332
local terms energy: -109.086379
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -336.023323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.023323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.023323 (E_RNA)
where:
Base-Base interactions energy: -224.738
where: short stacking energy: -85.547
Base-Backbone interact. energy: -0.339
local terms energy: -110.945921
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -283.917524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.917524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.917524 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -84.376
Base-Backbone interact. energy: -0.190
local terms energy: -104.827806
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -262.620248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.620248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.620248 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.078
local terms energy: -97.530199
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -263.659167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.659167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.659167 (E_RNA)
where:
Base-Base interactions energy: -164.337
where: short stacking energy: -79.711
Base-Backbone interact. energy: -0.140
local terms energy: -99.182432
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -211.078324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078324 (E_RNA)
where:
Base-Base interactions energy: -124.063
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.708
local terms energy: -86.307510
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -200.378044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.378044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.378044 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.184
local terms energy: -78.772059
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -14.940
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -209.471825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.471825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.471825 (E_RNA)
where:
Base-Base interactions energy: -130.831
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.081
local terms energy: -78.560508
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -5.621
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: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -339.600761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.600761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.600761 (E_RNA)
where:
Base-Base interactions energy: -229.185
where: short stacking energy: -101.889
Base-Backbone interact. energy: -0.109
local terms energy: -110.306895
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -29.659
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: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -319.948769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.948769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.948769 (E_RNA)
where:
Base-Base interactions energy: -215.682
where: short stacking energy: -90.500
Base-Backbone interact. energy: -0.218
local terms energy: -104.048617
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -15.612
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: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -340.207893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.207893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.207893 (E_RNA)
where:
Base-Base interactions energy: -225.375
where: short stacking energy: -105.649
Base-Backbone interact. energy: -0.573
local terms energy: -114.259595
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -30.816
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -328.522410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.522410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.522410 (E_RNA)
where:
Base-Base interactions energy: -225.114
where: short stacking energy: -99.985
Base-Backbone interact. energy: -0.922
local terms energy: -102.485805
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -288.325627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.325627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.325627 (E_RNA)
where:
Base-Base interactions energy: -199.912
where: short stacking energy: -74.751
Base-Backbone interact. energy: -0.903
local terms energy: -87.510871
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -12.344
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -264.879505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.879505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.879505 (E_RNA)
where:
Base-Base interactions energy: -162.758
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.722
local terms energy: -101.398896
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -267.972701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.972701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.972701 (E_RNA)
where:
Base-Base interactions energy: -168.262
where: short stacking energy: -77.267
Base-Backbone interact. energy: -0.120
local terms energy: -99.590986
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -19.987
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: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -193.570679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.570679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.570679 (E_RNA)
where:
Base-Base interactions energy: -111.560
where: short stacking energy: -55.501
Base-Backbone interact. energy: 0.683
local terms energy: -82.693317
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -225.422040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.422040 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -55.892
Base-Backbone interact. energy: -1.248
local terms energy: -70.293171
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -190.161156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.161156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.161156 (E_RNA)
where:
Base-Base interactions energy: -114.164
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.279
local terms energy: -75.717941
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -350.068548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.068548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.068548 (E_RNA)
where:
Base-Base interactions energy: -235.776
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.145
local terms energy: -114.147783
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -326.893946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.893946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.893946 (E_RNA)
where:
Base-Base interactions energy: -215.390
where: short stacking energy: -94.687
Base-Backbone interact. energy: -0.072
local terms energy: -111.431132
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -13.654
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: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -334.031313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.031313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.031313 (E_RNA)
where:
Base-Base interactions energy: -228.833
where: short stacking energy: -94.157
Base-Backbone interact. energy: -1.406
local terms energy: -103.792283
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -31.173
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: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -318.316517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.316517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.316517 (E_RNA)
where:
Base-Base interactions energy: -212.962
where: short stacking energy: -100.003
Base-Backbone interact. energy: -0.367
local terms energy: -104.987795
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -293.257319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.257319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.257319 (E_RNA)
where:
Base-Base interactions energy: -194.331
where: short stacking energy: -84.248
Base-Backbone interact. energy: -0.199
local terms energy: -98.726930
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -263.302434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.302434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.302434 (E_RNA)
where:
Base-Base interactions energy: -166.238
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.548
local terms energy: -96.516494
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -263.197392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.197392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.197392 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -90.616
Base-Backbone interact. energy: 0.324
local terms energy: -92.369168
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -22.319
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -212.635201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.635201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.635201 (E_RNA)
where:
Base-Base interactions energy: -129.274
where: short stacking energy: -63.330
Base-Backbone interact. energy: 1.156
local terms energy: -84.516829
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -7.843
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: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -201.178218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.178218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.178218 (E_RNA)
where:
Base-Base interactions energy: -127.363
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.592
local terms energy: -73.222632
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -4.096
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: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -239.423551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.423551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.423551 (E_RNA)
where:
Base-Base interactions energy: -152.314
where: short stacking energy: -66.911
Base-Backbone interact. energy: 1.139
local terms energy: -88.248082
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -337.967338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.967338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.967338 (E_RNA)
where:
Base-Base interactions energy: -225.542
where: short stacking energy: -91.661
Base-Backbone interact. energy: -1.107
local terms energy: -111.318549
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -350.898675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.898675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.898675 (E_RNA)
where:
Base-Base interactions energy: -233.106
where: short stacking energy: -105.677
Base-Backbone interact. energy: 0.207
local terms energy: -117.999776
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -28.445
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: 287
Temperature: 1.000000
Total energy: -312.424184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.424184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.424184 (E_RNA)
where:
Base-Base interactions energy: -213.157
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.859
local terms energy: -98.408918
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -8.900
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: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -327.519261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.519261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.519261 (E_RNA)
where:
Base-Base interactions energy: -226.423
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.690
local terms energy: -100.406367
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -297.568532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.568532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.568532 (E_RNA)
where:
Base-Base interactions energy: -197.663
where: short stacking energy: -84.032
Base-Backbone interact. energy: -0.204
local terms energy: -99.700767
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -276.806102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.806102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.806102 (E_RNA)
where:
Base-Base interactions energy: -178.292
where: short stacking energy: -87.879
Base-Backbone interact. energy: 0.604
local terms energy: -99.118255
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -19.580
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: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -257.461788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.461788 (E_RNA)
where:
Base-Base interactions energy: -171.798
where: short stacking energy: -82.483
Base-Backbone interact. energy: -0.319
local terms energy: -85.344794
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -214.965766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965766 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -62.947
Base-Backbone interact. energy: 0.660
local terms energy: -87.954942
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -203.850677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.850677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.850677 (E_RNA)
where:
Base-Base interactions energy: -128.279
where: short stacking energy: -46.675
Base-Backbone interact. energy: -0.679
local terms energy: -74.892053
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -225.766070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.766070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.766070 (E_RNA)
where:
Base-Base interactions energy: -139.121
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.229
local terms energy: -86.415929
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -320.209154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.209154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.209154 (E_RNA)
where:
Base-Base interactions energy: -219.586
where: short stacking energy: -90.446
Base-Backbone interact. energy: 1.168
local terms energy: -101.791580
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -338.954371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.954371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.954371 (E_RNA)
where:
Base-Base interactions energy: -236.725
where: short stacking energy: -95.577
Base-Backbone interact. energy: -1.364
local terms energy: -100.865801
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -315.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.327654 (E_RNA)
where:
Base-Base interactions energy: -208.941
where: short stacking energy: -82.897
Base-Backbone interact. energy: 0.988
local terms energy: -107.374545
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -24.636
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: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -313.021893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.021893 (E_RNA)
where:
Base-Base interactions energy: -207.524
where: short stacking energy: -87.591
Base-Backbone interact. energy: -0.435
local terms energy: -105.062865
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -15.599
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: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -301.180407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.180407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.180407 (E_RNA)
where:
Base-Base interactions energy: -207.428
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.894
local terms energy: -92.857706
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -257.177095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.177095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.177095 (E_RNA)
where:
Base-Base interactions energy: -172.897
where: short stacking energy: -85.262
Base-Backbone interact. energy: -0.188
local terms energy: -84.092064
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -15.272
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: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -244.565663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.565663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.565663 (E_RNA)
where:
Base-Base interactions energy: -160.618
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.094
local terms energy: -83.853304
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -16.569
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: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -261.009560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.009560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.009560 (E_RNA)
where:
Base-Base interactions energy: -168.003
where: short stacking energy: -88.717
Base-Backbone interact. energy: 0.306
local terms energy: -93.312910
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -214.315744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315744 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -54.655
Base-Backbone interact. energy: -0.744
local terms energy: -62.601247
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -192.084469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084469 (E_RNA)
where:
Base-Base interactions energy: -108.708
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.269
local terms energy: -83.106663
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -7.908
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -320.063924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.063924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.063924 (E_RNA)
where:
Base-Base interactions energy: -216.287
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.217
local terms energy: -103.560021
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -346.440913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.440913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.440913 (E_RNA)
where:
Base-Base interactions energy: -228.476
where: short stacking energy: -108.931
Base-Backbone interact. energy: -1.073
local terms energy: -116.892541
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -325.093651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.093651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.093651 (E_RNA)
where:
Base-Base interactions energy: -229.175
where: short stacking energy: -90.148
Base-Backbone interact. energy: -0.638
local terms energy: -95.280466
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -21.922
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: 289
Temperature: 1.050000
Total energy: -300.179935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.179935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.179935 (E_RNA)
where:
Base-Base interactions energy: -191.816
where: short stacking energy: -80.967
Base-Backbone interact. energy: -0.070
local terms energy: -108.294427
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -270.659857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.659857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.659857 (E_RNA)
where:
Base-Base interactions energy: -171.458
where: short stacking energy: -87.590
Base-Backbone interact. energy: -0.654
local terms energy: -98.548630
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -16.279
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: 289
Temperature: 1.150000
Total energy: -294.251525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.251525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.251525 (E_RNA)
where:
Base-Base interactions energy: -197.846
where: short stacking energy: -85.979
Base-Backbone interact. energy: -0.156
local terms energy: -96.249332
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -20.574
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: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -252.932265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.932265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.932265 (E_RNA)
where:
Base-Base interactions energy: -161.190
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.191
local terms energy: -91.551133
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -230.901290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.901290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.901290 (E_RNA)
where:
Base-Base interactions energy: -141.927
where: short stacking energy: -70.104
Base-Backbone interact. energy: -1.374
local terms energy: -87.600423
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -15.584
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -210.260219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.260219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.260219 (E_RNA)
where:
Base-Base interactions energy: -118.876
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.351
local terms energy: -91.033669
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -14.367
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: 289
Temperature: 1.350000
Total energy: -190.937211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.937211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.937211 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -63.217
Base-Backbone interact. energy: -0.299
local terms energy: -77.100643
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -12.134
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: 290
Temperature: 0.900000
Total energy: -348.146153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.146153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.146153 (E_RNA)
where:
Base-Base interactions energy: -238.759
where: short stacking energy: -111.289
Base-Backbone interact. energy: -0.236
local terms energy: -109.150827
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -30.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -309.397995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.397995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.397995 (E_RNA)
where:
Base-Base interactions energy: -193.694
where: short stacking energy: -91.439
Base-Backbone interact. energy: -1.029
local terms energy: -114.675160
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -31.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -332.084888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.084888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.084888 (E_RNA)
where:
Base-Base interactions energy: -225.337
where: short stacking energy: -95.154
Base-Backbone interact. energy: -0.583
local terms energy: -106.165003
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -14.387
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: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -314.376094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.376094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.376094 (E_RNA)
where:
Base-Base interactions energy: -205.737
where: short stacking energy: -96.094
Base-Backbone interact. energy: -0.771
local terms energy: -107.867770
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -282.704506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.704506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.704506 (E_RNA)
where:
Base-Base interactions energy: -184.971
where: short stacking energy: -83.536
Base-Backbone interact. energy: -0.210
local terms energy: -97.524012
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -19.899
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -288.480702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.480702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.480702 (E_RNA)
where:
Base-Base interactions energy: -188.043
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.115
local terms energy: -100.323059
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -240.804827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.804827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.804827 (E_RNA)
where:
Base-Base interactions energy: -157.771
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.175
local terms energy: -82.859290
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -252.320282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.320282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.320282 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -80.900
Base-Backbone interact. energy: -0.403
local terms energy: -87.200836
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -194.738274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.738274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.738274 (E_RNA)
where:
Base-Base interactions energy: -114.204
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.398
local terms energy: -80.135646
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -15.479
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -203.863349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863349 (E_RNA)
where:
Base-Base interactions energy: -114.832
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.272
local terms energy: -88.759175
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -14.016
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: 291
Temperature: 0.900000
Total energy: -360.734140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.734140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.734140 (E_RNA)
where:
Base-Base interactions energy: -246.014
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.624
local terms energy: -114.095996
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -321.570228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.570228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.570228 (E_RNA)
where:
Base-Base interactions energy: -218.546
where: short stacking energy: -93.558
Base-Backbone interact. energy: -0.190
local terms energy: -102.833962
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -300.022590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.022590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.022590 (E_RNA)
where:
Base-Base interactions energy: -185.122
where: short stacking energy: -90.763
Base-Backbone interact. energy: -0.334
local terms energy: -114.566585
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -26.066
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -309.461289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.461289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.461289 (E_RNA)
where:
Base-Base interactions energy: -208.438
where: short stacking energy: -91.514
Base-Backbone interact. energy: -1.359
local terms energy: -99.663821
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -270.981371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.981371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.981371 (E_RNA)
where:
Base-Base interactions energy: -176.189
where: short stacking energy: -79.834
Base-Backbone interact. energy: -0.596
local terms energy: -94.196531
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -258.313130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.313130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.313130 (E_RNA)
where:
Base-Base interactions energy: -162.857
where: short stacking energy: -75.358
Base-Backbone interact. energy: -0.199
local terms energy: -95.257577
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -19.546
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: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -264.546728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.546728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.546728 (E_RNA)
where:
Base-Base interactions energy: -175.569
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.164
local terms energy: -88.813954
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -19.869
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: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -194.116123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.116123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.116123 (E_RNA)
where:
Base-Base interactions energy: -128.466
where: short stacking energy: -57.227
Base-Backbone interact. energy: 2.808
local terms energy: -68.458225
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -4.536
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: 291
Temperature: 1.300000
Total energy: -242.111587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.111587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.111587 (E_RNA)
where:
Base-Base interactions energy: -155.657
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.201
local terms energy: -86.253749
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -239.122801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.122801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.122801 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.221
local terms energy: -84.344393
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -353.216397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.216397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.216397 (E_RNA)
where:
Base-Base interactions energy: -236.492
where: short stacking energy: -99.787
Base-Backbone interact. energy: -0.767
local terms energy: -115.956645
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -326.513320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.513320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.513320 (E_RNA)
where:
Base-Base interactions energy: -221.893
where: short stacking energy: -100.007
Base-Backbone interact. energy: -0.717
local terms energy: -103.902791
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -28.813
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -326.097820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.097820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.097820 (E_RNA)
where:
Base-Base interactions energy: -220.727
where: short stacking energy: -88.112
Base-Backbone interact. energy: -1.204
local terms energy: -104.166632
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -16.484
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: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -280.698431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.698431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.698431 (E_RNA)
where:
Base-Base interactions energy: -184.402
where: short stacking energy: -92.205
Base-Backbone interact. energy: -0.323
local terms energy: -95.973698
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -21.017
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -264.894493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.894493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.894493 (E_RNA)
where:
Base-Base interactions energy: -163.386
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.332
local terms energy: -101.176708
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -258.563122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.563122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.563122 (E_RNA)
where:
Base-Base interactions energy: -165.094
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.778
local terms energy: -92.691196
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -13.476
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: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -261.030201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.030201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.030201 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.346
local terms energy: -94.109818
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -17.592
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: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -203.431734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431734 (E_RNA)
where:
Base-Base interactions energy: -118.419
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.121
local terms energy: -84.892416
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -249.259013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.259013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.259013 (E_RNA)
where:
Base-Base interactions energy: -164.540
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.176
local terms energy: -84.542353
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -6.040
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: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -228.658076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.658076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.658076 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -59.306
Base-Backbone interact. energy: -0.533
local terms energy: -84.265247
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -356.971052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.971052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.971052 (E_RNA)
where:
Base-Base interactions energy: -234.325
where: short stacking energy: -108.182
Base-Backbone interact. energy: -0.243
local terms energy: -122.402371
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -15.828
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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -318.564041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.564041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.564041 (E_RNA)
where:
Base-Base interactions energy: -211.223
where: short stacking energy: -95.453
Base-Backbone interact. energy: -0.355
local terms energy: -106.986443
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -15.670
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: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -328.444309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.444309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.444309 (E_RNA)
where:
Base-Base interactions energy: -224.232
where: short stacking energy: -94.576
Base-Backbone interact. energy: -0.403
local terms energy: -103.809438
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -284.838519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.838519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.838519 (E_RNA)
where:
Base-Base interactions energy: -186.260
where: short stacking energy: -81.363
Base-Backbone interact. energy: -0.724
local terms energy: -97.854631
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -9.220
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: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -284.302241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.302241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.302241 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.704
local terms energy: -92.344784
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -283.664466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.664466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.664466 (E_RNA)
where:
Base-Base interactions energy: -174.364
where: short stacking energy: -90.965
Base-Backbone interact. energy: -0.194
local terms energy: -109.106927
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -26.770
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -252.312979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.312979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.312979 (E_RNA)
where:
Base-Base interactions energy: -165.127
where: short stacking energy: -79.937
Base-Backbone interact. energy: -0.217
local terms energy: -86.968916
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -248.930956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.930956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.930956 (E_RNA)
where:
Base-Base interactions energy: -162.339
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.363
local terms energy: -86.228599
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -220.979240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.979240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979240 (E_RNA)
where:
Base-Base interactions energy: -139.274
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.057
local terms energy: -81.648545
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -231.904103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.904103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.904103 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.168
local terms energy: -86.173277
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -11.596
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: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -352.946826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.946826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.946826 (E_RNA)
where:
Base-Base interactions energy: -236.720
where: short stacking energy: -100.762
Base-Backbone interact. energy: -0.293
local terms energy: -115.934562
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -316.900283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.900283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.900283 (E_RNA)
where:
Base-Base interactions energy: -215.997
where: short stacking energy: -93.236
Base-Backbone interact. energy: -0.065
local terms energy: -100.838556
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -326.995597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.995597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.995597 (E_RNA)
where:
Base-Base interactions energy: -225.256
where: short stacking energy: -105.028
Base-Backbone interact. energy: -0.103
local terms energy: -101.636807
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -6.848
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: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -280.328864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.328864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.328864 (E_RNA)
where:
Base-Base interactions energy: -177.913
where: short stacking energy: -93.505
Base-Backbone interact. energy: -0.310
local terms energy: -102.106046
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -277.312808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.312808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.312808 (E_RNA)
where:
Base-Base interactions energy: -175.828
where: short stacking energy: -88.354
Base-Backbone interact. energy: -0.103
local terms energy: -101.382072
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -14.911
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: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -263.795776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.795776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.795776 (E_RNA)
where:
Base-Base interactions energy: -169.463
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.336
local terms energy: -93.997123
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -255.050917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.050917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.050917 (E_RNA)
where:
Base-Base interactions energy: -161.722
where: short stacking energy: -81.602
Base-Backbone interact. energy: -0.015
local terms energy: -93.313821
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -20.771
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: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -258.687540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.687540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.687540 (E_RNA)
where:
Base-Base interactions energy: -167.973
where: short stacking energy: -78.593
Base-Backbone interact. energy: -0.063
local terms energy: -90.652227
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -23.070
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: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -231.137384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.137384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.137384 (E_RNA)
where:
Base-Base interactions energy: -146.455
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.821
local terms energy: -83.860925
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -20.351
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: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -184.568555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.568555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.568555 (E_RNA)
where:
Base-Base interactions energy: -106.354
where: short stacking energy: -48.106
Base-Backbone interact. energy: -0.384
local terms energy: -77.830211
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -355.837064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.837064 (E_RNA)
where:
Base-Base interactions energy: -242.777
where: short stacking energy: -101.579
Base-Backbone interact. energy: -0.683
local terms energy: -112.377628
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -31.407
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -338.380329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.380329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.380329 (E_RNA)
where:
Base-Base interactions energy: -215.854
where: short stacking energy: -104.639
Base-Backbone interact. energy: 1.346
local terms energy: -123.872181
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -28.260
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: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -327.489527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.489527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.489527 (E_RNA)
where:
Base-Base interactions energy: -207.851
where: short stacking energy: -90.505
Base-Backbone interact. energy: -0.663
local terms energy: -118.976228
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -25.435
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: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -295.119391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.119391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.119391 (E_RNA)
where:
Base-Base interactions energy: -180.042
where: short stacking energy: -82.438
Base-Backbone interact. energy: -0.813
local terms energy: -114.264128
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -20.153
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: 295
Temperature: 1.100000
Total energy: -265.655288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.655288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.655288 (E_RNA)
where:
Base-Base interactions energy: -165.647
where: short stacking energy: -76.300
Base-Backbone interact. energy: -1.076
local terms energy: -98.932512
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -291.519254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.519254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.519254 (E_RNA)
where:
Base-Base interactions energy: -186.231
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.171
local terms energy: -105.117340
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -15.263
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -253.490086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.490086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.490086 (E_RNA)
where:
Base-Base interactions energy: -154.328
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.265
local terms energy: -98.897165
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -248.809314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.809314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.809314 (E_RNA)
where:
Base-Base interactions energy: -157.762
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.101
local terms energy: -90.946575
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -23.154
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: 295
Temperature: 1.300000
Total energy: -209.138499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.138499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138499 (E_RNA)
where:
Base-Base interactions energy: -123.200
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.561
local terms energy: -85.377273
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -194.669838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.669838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669838 (E_RNA)
where:
Base-Base interactions energy: -124.403
where: short stacking energy: -62.272
Base-Backbone interact. energy: 1.075
local terms energy: -71.341508
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -360.896750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.896750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.896750 (E_RNA)
where:
Base-Base interactions energy: -247.288
where: short stacking energy: -105.689
Base-Backbone interact. energy: -0.177
local terms energy: -113.430993
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -30.019
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: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -322.977507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.977507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.977507 (E_RNA)
where:
Base-Base interactions energy: -219.370
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.113
local terms energy: -103.494980
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -12.752
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: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -317.304958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.304958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.304958 (E_RNA)
where:
Base-Base interactions energy: -223.643
where: short stacking energy: -96.676
Base-Backbone interact. energy: -0.122
local terms energy: -93.539911
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -282.121872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.121872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.121872 (E_RNA)
where:
Base-Base interactions energy: -192.276
where: short stacking energy: -88.296
Base-Backbone interact. energy: -0.055
local terms energy: -89.790603
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -284.071571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.071571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.071571 (E_RNA)
where:
Base-Base interactions energy: -180.440
where: short stacking energy: -83.016
Base-Backbone interact. energy: -0.050
local terms energy: -103.580952
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -11.857
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: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -278.065923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.065923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.065923 (E_RNA)
where:
Base-Base interactions energy: -173.225
where: short stacking energy: -87.215
Base-Backbone interact. energy: 0.201
local terms energy: -105.041831
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -13.320
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: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -257.420424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.420424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.420424 (E_RNA)
where:
Base-Base interactions energy: -169.415
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.284
local terms energy: -87.721200
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -16.553
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: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -240.121808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.121808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.121808 (E_RNA)
where:
Base-Base interactions energy: -154.747
where: short stacking energy: -64.793
Base-Backbone interact. energy: -0.230
local terms energy: -85.144471
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -19.140
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: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -231.195533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.195533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.195533 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.297
local terms energy: -87.474189
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -11.548
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: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -234.787481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.787481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.787481 (E_RNA)
where:
Base-Base interactions energy: -154.794
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.346
local terms energy: -79.647425
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -363.209034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.209034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.209034 (E_RNA)
where:
Base-Base interactions energy: -261.019
where: short stacking energy: -90.441
Base-Backbone interact. energy: -0.867
local terms energy: -101.323257
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -319.032800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.032800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.032800 (E_RNA)
where:
Base-Base interactions energy: -210.881
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.064
local terms energy: -108.088321
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -13.165
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -311.431093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.431093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.431093 (E_RNA)
where:
Base-Base interactions energy: -219.520
where: short stacking energy: -99.820
Base-Backbone interact. energy: 6.976
local terms energy: -98.887222
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -24.231
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: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -275.265331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.265331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.265331 (E_RNA)
where:
Base-Base interactions energy: -172.241
where: short stacking energy: -92.328
Base-Backbone interact. energy: 1.077
local terms energy: -104.101229
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -272.758070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.758070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.758070 (E_RNA)
where:
Base-Base interactions energy: -177.405
where: short stacking energy: -83.249
Base-Backbone interact. energy: -0.092
local terms energy: -95.261565
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -17.434
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: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -257.690274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.690274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.690274 (E_RNA)
where:
Base-Base interactions energy: -165.476
where: short stacking energy: -82.462
Base-Backbone interact. energy: -0.418
local terms energy: -91.796216
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -18.622
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -265.096523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.096523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.096523 (E_RNA)
where:
Base-Base interactions energy: -163.199
where: short stacking energy: -76.457
Base-Backbone interact. energy: 0.561
local terms energy: -102.458427
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -15.311
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -249.732935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.732935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.732935 (E_RNA)
where:
Base-Base interactions energy: -167.635
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.525
local terms energy: -81.572786
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -230.454932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.454932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.454932 (E_RNA)
where:
Base-Base interactions energy: -145.488
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.193
local terms energy: -84.774048
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -229.097471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097471 (E_RNA)
where:
Base-Base interactions energy: -150.613
where: short stacking energy: -52.656
Base-Backbone interact. energy: 0.103
local terms energy: -78.587082
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.272
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: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -367.648697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.648697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.648697 (E_RNA)
where:
Base-Base interactions energy: -243.185
where: short stacking energy: -106.967
Base-Backbone interact. energy: 0.705
local terms energy: -125.168915
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -31.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -317.058174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.058174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.058174 (E_RNA)
where:
Base-Base interactions energy: -216.009
where: short stacking energy: -92.862
Base-Backbone interact. energy: 0.229
local terms energy: -101.278132
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -14.378
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: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -313.165330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.165330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.165330 (E_RNA)
where:
Base-Base interactions energy: -216.223
where: short stacking energy: -95.799
Base-Backbone interact. energy: -0.013
local terms energy: -96.929565
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -277.785383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.785383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.785383 (E_RNA)
where:
Base-Base interactions energy: -165.102
where: short stacking energy: -83.153
Base-Backbone interact. energy: -0.044
local terms energy: -112.639280
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -19.772
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: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -280.514183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.514183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.514183 (E_RNA)
where:
Base-Base interactions energy: -178.096
where: short stacking energy: -80.809
Base-Backbone interact. energy: -0.111
local terms energy: -102.307010
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -24.308
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: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -255.827393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.827393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.827393 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -76.901
Base-Backbone interact. energy: -0.442
local terms energy: -98.569667
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -22.138
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: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -254.933942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.933942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.933942 (E_RNA)
where:
Base-Base interactions energy: -170.372
where: short stacking energy: -71.154
Base-Backbone interact. energy: 0.800
local terms energy: -85.361688
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -12.505
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: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -254.088394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.088394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.088394 (E_RNA)
where:
Base-Base interactions energy: -172.674
where: short stacking energy: -73.905
Base-Backbone interact. energy: 0.725
local terms energy: -82.139311
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -10.597
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: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -251.261478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.261478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.261478 (E_RNA)
where:
Base-Base interactions energy: -161.694
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.148
local terms energy: -89.418887
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -207.092581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.092581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.092581 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.155
local terms energy: -78.885262
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -354.795693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.795693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.795693 (E_RNA)
where:
Base-Base interactions energy: -236.119
where: short stacking energy: -110.560
Base-Backbone interact. energy: -0.263
local terms energy: -118.414063
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -335.819987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.819987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.819987 (E_RNA)
where:
Base-Base interactions energy: -221.985
where: short stacking energy: -99.406
Base-Backbone interact. energy: -0.208
local terms energy: -113.626963
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -29.458
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -322.430382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.430382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.430382 (E_RNA)
where:
Base-Base interactions energy: -225.250
where: short stacking energy: -100.875
Base-Backbone interact. energy: -0.032
local terms energy: -97.149146
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -26.660
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: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -280.840921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.840921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.840921 (E_RNA)
where:
Base-Base interactions energy: -182.915
where: short stacking energy: -92.507
Base-Backbone interact. energy: -0.105
local terms energy: -97.820552
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -12.860
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: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -293.688538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.688538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.688538 (E_RNA)
where:
Base-Base interactions energy: -180.747
where: short stacking energy: -99.264
Base-Backbone interact. energy: -0.053
local terms energy: -112.889320
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -27.146
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: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -265.663813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.663813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.663813 (E_RNA)
where:
Base-Base interactions energy: -166.756
where: short stacking energy: -78.163
Base-Backbone interact. energy: 2.465
local terms energy: -101.372965
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -20.934
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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -242.818008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.818008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.818008 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.715
local terms energy: -90.345826
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -18.022
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -253.772242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.772242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.772242 (E_RNA)
where:
Base-Base interactions energy: -168.094
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.287
local terms energy: -85.391653
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -20.414
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: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -250.115028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.115028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.115028 (E_RNA)
where:
Base-Base interactions energy: -166.754
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.222
local terms energy: -83.138870
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -174.782485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.782485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.782485 (E_RNA)
where:
Base-Base interactions energy: -110.315
where: short stacking energy: -45.567
Base-Backbone interact. energy: 0.954
local terms energy: -65.421378
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -345.625657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.625657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.625657 (E_RNA)
where:
Base-Base interactions energy: -243.050
where: short stacking energy: -99.149
Base-Backbone interact. energy: -0.148
local terms energy: -102.427281
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -27.716
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: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -345.589166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.589166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.589166 (E_RNA)
where:
Base-Base interactions energy: -233.395
where: short stacking energy: -99.054
Base-Backbone interact. energy: -0.202
local terms energy: -111.992688
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -26.846
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: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -284.953844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.953844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.953844 (E_RNA)
where:
Base-Base interactions energy: -180.582
where: short stacking energy: -82.557
Base-Backbone interact. energy: -0.836
local terms energy: -103.535544
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -318.672552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.672552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.672552 (E_RNA)
where:
Base-Base interactions energy: -206.734
where: short stacking energy: -92.136
Base-Backbone interact. energy: -0.654
local terms energy: -111.284454
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -28.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -274.015737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.015737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.015737 (E_RNA)
where:
Base-Base interactions energy: -185.781
where: short stacking energy: -79.173
Base-Backbone interact. energy: -0.208
local terms energy: -88.027014
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -281.715058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.715058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.715058 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -79.414
Base-Backbone interact. energy: -0.524
local terms energy: -103.541615
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -249.128610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.128610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.128610 (E_RNA)
where:
Base-Base interactions energy: -162.838
where: short stacking energy: -64.405
Base-Backbone interact. energy: 1.244
local terms energy: -87.533895
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -11.153
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: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -218.532604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532604 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.096
local terms energy: -77.555906
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -9.498
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: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -229.064765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.064765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.064765 (E_RNA)
where:
Base-Base interactions energy: -149.997
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.149
local terms energy: -78.918601
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -13.587
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: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -229.019667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.019667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.019667 (E_RNA)
where:
Base-Base interactions energy: -155.450
where: short stacking energy: -68.200
Base-Backbone interact. energy: 4.528
local terms energy: -78.097947
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -347.761466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.761466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.761466 (E_RNA)
where:
Base-Base interactions energy: -232.078
where: short stacking energy: -103.606
Base-Backbone interact. energy: 1.474
local terms energy: -117.156809
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -30.626
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: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -351.714454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.714454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.714454 (E_RNA)
where:
Base-Base interactions energy: -227.889
where: short stacking energy: -107.831
Base-Backbone interact. energy: 0.174
local terms energy: -123.999836
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -28.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -294.151071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.151071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.151071 (E_RNA)
where:
Base-Base interactions energy: -181.710
where: short stacking energy: -82.734
Base-Backbone interact. energy: -0.280
local terms energy: -112.160551
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -303.076526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.076526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.076526 (E_RNA)
where:
Base-Base interactions energy: -209.536
where: short stacking energy: -92.648
Base-Backbone interact. energy: -0.331
local terms energy: -93.209345
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -13.488
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: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -261.565422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.565422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.565422 (E_RNA)
where:
Base-Base interactions energy: -179.970
where: short stacking energy: -76.676
Base-Backbone interact. energy: -0.210
local terms energy: -81.385684
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -16.030
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: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -281.125494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.125494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.125494 (E_RNA)
where:
Base-Base interactions energy: -181.947
where: short stacking energy: -80.208
Base-Backbone interact. energy: -0.055
local terms energy: -99.123470
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -250.074382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.074382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.074382 (E_RNA)
where:
Base-Base interactions energy: -157.089
where: short stacking energy: -74.468
Base-Backbone interact. energy: -0.122
local terms energy: -92.863225
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -15.804
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: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -272.005954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.005954 (E_RNA)
where:
Base-Base interactions energy: -177.700
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.371
local terms energy: -93.935507
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -248.665280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665280 (E_RNA)
where:
Base-Base interactions energy: -150.555
where: short stacking energy: -67.786
Base-Backbone interact. energy: 0.850
local terms energy: -98.960702
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -220.063714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.063714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.063714 (E_RNA)
where:
Base-Base interactions energy: -151.549
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.013
local terms energy: -68.501820
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -8.681
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: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -354.474963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.474963 (E_RNA)
where:
Base-Base interactions energy: -244.530
where: short stacking energy: -102.381
Base-Backbone interact. energy: -0.205
local terms energy: -109.739595
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -318.710030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.710030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.710030 (E_RNA)
where:
Base-Base interactions energy: -218.032
where: short stacking energy: -92.445
Base-Backbone interact. energy: -0.480
local terms energy: -100.197920
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.402
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: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -304.902132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.902132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.902132 (E_RNA)
where:
Base-Base interactions energy: -205.500
where: short stacking energy: -90.655
Base-Backbone interact. energy: 1.814
local terms energy: -101.216351
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -18.239
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: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -278.011589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.011589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.011589 (E_RNA)
where:
Base-Base interactions energy: -178.343
where: short stacking energy: -79.288
Base-Backbone interact. energy: -1.255
local terms energy: -98.413120
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -273.868395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.868395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.868395 (E_RNA)
where:
Base-Base interactions energy: -172.341
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.014
local terms energy: -101.512744
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -14.765
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: 302
Temperature: 1.150000
Total energy: -278.141666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.141666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.141666 (E_RNA)
where:
Base-Base interactions energy: -179.821
where: short stacking energy: -75.930
Base-Backbone interact. energy: -0.595
local terms energy: -97.726240
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -245.008527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.008527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.008527 (E_RNA)
where:
Base-Base interactions energy: -152.716
where: short stacking energy: -65.812
Base-Backbone interact. energy: -0.110
local terms energy: -92.181913
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -16.643
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: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -239.674255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.674255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.674255 (E_RNA)
where:
Base-Base interactions energy: -144.956
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.090
local terms energy: -94.628606
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -16.089
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: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -193.534908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.534908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.534908 (E_RNA)
where:
Base-Base interactions energy: -108.179
where: short stacking energy: -54.777
Base-Backbone interact. energy: -0.013
local terms energy: -85.342203
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -219.356102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.356102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.356102 (E_RNA)
where:
Base-Base interactions energy: -127.920
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.282
local terms energy: -91.153972
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -361.081787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.081787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.081787 (E_RNA)
where:
Base-Base interactions energy: -241.555
where: short stacking energy: -95.360
Base-Backbone interact. energy: -0.180
local terms energy: -119.347527
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -26.398
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: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -321.411435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.411435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.411435 (E_RNA)
where:
Base-Base interactions energy: -211.546
where: short stacking energy: -102.735
Base-Backbone interact. energy: -0.138
local terms energy: -109.727094
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -26.880
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -320.443994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.443994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.443994 (E_RNA)
where:
Base-Base interactions energy: -209.753
where: short stacking energy: -88.575
Base-Backbone interact. energy: 0.291
local terms energy: -110.981942
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -20.763
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: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -259.303987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.303987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.303987 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -78.551
Base-Backbone interact. energy: -0.021
local terms energy: -102.478156
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -282.249512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.249512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.249512 (E_RNA)
where:
Base-Base interactions energy: -188.975
where: short stacking energy: -81.422
Base-Backbone interact. energy: -1.192
local terms energy: -92.082811
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -16.124
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: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -263.298325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.298325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.298325 (E_RNA)
where:
Base-Base interactions energy: -176.402
where: short stacking energy: -85.085
Base-Backbone interact. energy: 0.057
local terms energy: -86.954090
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -23.376
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: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -253.711657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.711657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.711657 (E_RNA)
where:
Base-Base interactions energy: -172.313
where: short stacking energy: -87.771
Base-Backbone interact. energy: -0.339
local terms energy: -81.060107
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -18.446
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: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -212.691288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.691288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.691288 (E_RNA)
where:
Base-Base interactions energy: -123.926
where: short stacking energy: -57.009
Base-Backbone interact. energy: -2.367
local terms energy: -86.397920
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -214.342060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.342060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.342060 (E_RNA)
where:
Base-Base interactions energy: -135.387
where: short stacking energy: -76.840
Base-Backbone interact. energy: -0.207
local terms energy: -78.747676
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -209.794949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794949 (E_RNA)
where:
Base-Base interactions energy: -137.189
where: short stacking energy: -62.792
Base-Backbone interact. energy: 0.030
local terms energy: -72.635826
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -9.731
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: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -361.158343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.158343 (E_RNA)
where:
Base-Base interactions energy: -241.175
where: short stacking energy: -111.116
Base-Backbone interact. energy: -0.209
local terms energy: -119.774313
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -25.203
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: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -328.360372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.360372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.360372 (E_RNA)
where:
Base-Base interactions energy: -223.709
where: short stacking energy: -111.593
Base-Backbone interact. energy: -0.138
local terms energy: -104.513620
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -10.852
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: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -321.422311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.422311 (E_RNA)
where:
Base-Base interactions energy: -204.220
where: short stacking energy: -89.846
Base-Backbone interact. energy: -2.472
local terms energy: -114.730717
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -287.410335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.410335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.410335 (E_RNA)
where:
Base-Base interactions energy: -186.152
where: short stacking energy: -92.468
Base-Backbone interact. energy: -0.390
local terms energy: -100.868742
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -21.200
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: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -278.939134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.939134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.939134 (E_RNA)
where:
Base-Base interactions energy: -179.919
where: short stacking energy: -92.028
Base-Backbone interact. energy: -0.081
local terms energy: -98.939087
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -23.903
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: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -288.835468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.835468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.835468 (E_RNA)
where:
Base-Base interactions energy: -193.653
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.287
local terms energy: -94.896199
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -221.590588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590588 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.272
local terms energy: -88.279211
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -9.766
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: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -267.528271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.528271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.528271 (E_RNA)
where:
Base-Base interactions energy: -167.616
where: short stacking energy: -78.631
Base-Backbone interact. energy: -0.057
local terms energy: -99.855421
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -14.394
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: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -210.197799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.197799 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.030
local terms energy: -87.631237
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -196.810385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.810385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.810385 (E_RNA)
where:
Base-Base interactions energy: -128.362
where: short stacking energy: -56.682
Base-Backbone interact. energy: -0.444
local terms energy: -68.004147
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -10.865
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: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -350.593159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.593159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.593159 (E_RNA)
where:
Base-Base interactions energy: -233.406
where: short stacking energy: -102.698
Base-Backbone interact. energy: -2.849
local terms energy: -114.338832
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -328.937152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.937152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.937152 (E_RNA)
where:
Base-Base interactions energy: -224.432
where: short stacking energy: -107.420
Base-Backbone interact. energy: -0.253
local terms energy: -104.251853
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -23.782
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: 305
Temperature: 1.000000
Total energy: -321.749663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.749663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.749663 (E_RNA)
where:
Base-Base interactions energy: -211.882
where: short stacking energy: -101.079
Base-Backbone interact. energy: -0.236
local terms energy: -109.631835
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -19.285
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -293.844561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.844561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.844561 (E_RNA)
where:
Base-Base interactions energy: -189.669
where: short stacking energy: -99.464
Base-Backbone interact. energy: -0.027
local terms energy: -104.148723
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -25.142
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: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -275.400115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.400115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.400115 (E_RNA)
where:
Base-Base interactions energy: -173.437
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.382
local terms energy: -101.581055
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -293.150590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.150590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.150590 (E_RNA)
where:
Base-Base interactions energy: -187.066
where: short stacking energy: -89.140
Base-Backbone interact. energy: -0.004
local terms energy: -106.081097
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -227.019817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.019817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.019817 (E_RNA)
where:
Base-Base interactions energy: -138.674
where: short stacking energy: -77.394
Base-Backbone interact. energy: -0.203
local terms energy: -88.143081
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -242.771452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.771452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.771452 (E_RNA)
where:
Base-Base interactions energy: -166.375
where: short stacking energy: -71.298
Base-Backbone interact. energy: 1.630
local terms energy: -78.026497
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -8.895
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: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -217.732465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.732465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.732465 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.350
local terms energy: -83.202569
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -12.380
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: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -203.302841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302841 (E_RNA)
where:
Base-Base interactions energy: -114.194
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.246
local terms energy: -88.862964
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -8.644
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: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -363.575418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.575418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.575418 (E_RNA)
where:
Base-Base interactions energy: -240.554
where: short stacking energy: -114.497
Base-Backbone interact. energy: -0.602
local terms energy: -122.419122
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -36.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -328.489324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.489324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.489324 (E_RNA)
where:
Base-Base interactions energy: -226.620
where: short stacking energy: -100.344
Base-Backbone interact. energy: 5.834
local terms energy: -107.702738
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -15.854
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: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -322.630952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.630952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.630952 (E_RNA)
where:
Base-Base interactions energy: -210.967
where: short stacking energy: -93.875
Base-Backbone interact. energy: -0.072
local terms energy: -111.592765
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -281.679479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.679479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.679479 (E_RNA)
where:
Base-Base interactions energy: -176.470
where: short stacking energy: -92.960
Base-Backbone interact. energy: -0.505
local terms energy: -104.703666
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -16.834
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -304.905458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.905458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.905458 (E_RNA)
where:
Base-Base interactions energy: -198.124
where: short stacking energy: -99.805
Base-Backbone interact. energy: -0.572
local terms energy: -106.209837
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -270.335780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.335780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.335780 (E_RNA)
where:
Base-Base interactions energy: -165.713
where: short stacking energy: -81.049
Base-Backbone interact. energy: -0.104
local terms energy: -104.518914
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -26.360
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: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -246.180561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.180561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.180561 (E_RNA)
where:
Base-Base interactions energy: -155.975
where: short stacking energy: -66.152
Base-Backbone interact. energy: -0.357
local terms energy: -89.848784
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -18.921
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: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -257.306432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.306432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.306432 (E_RNA)
where:
Base-Base interactions energy: -166.362
where: short stacking energy: -79.052
Base-Backbone interact. energy: -0.029
local terms energy: -90.915380
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -14.597
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: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -239.258909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.258909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.258909 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -78.643
Base-Backbone interact. energy: -0.409
local terms energy: -84.715218
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.669
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: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -199.636268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.636268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.636268 (E_RNA)
where:
Base-Base interactions energy: -116.717
where: short stacking energy: -56.659
Base-Backbone interact. energy: -0.374
local terms energy: -82.545454
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -359.296934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.296934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.296934 (E_RNA)
where:
Base-Base interactions energy: -252.108
where: short stacking energy: -92.546
Base-Backbone interact. energy: -1.312
local terms energy: -105.877484
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -11.478
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: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -336.410043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.410043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.410043 (E_RNA)
where:
Base-Base interactions energy: -226.667
where: short stacking energy: -108.969
Base-Backbone interact. energy: 2.732
local terms energy: -112.475126
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -321.584476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.584476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.584476 (E_RNA)
where:
Base-Base interactions energy: -206.910
where: short stacking energy: -86.927
Base-Backbone interact. energy: -1.183
local terms energy: -113.490504
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -28.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -263.804693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.804693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.804693 (E_RNA)
where:
Base-Base interactions energy: -169.381
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.175
local terms energy: -94.248569
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -287.101672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.101672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.101672 (E_RNA)
where:
Base-Base interactions energy: -187.991
where: short stacking energy: -86.919
Base-Backbone interact. energy: -0.240
local terms energy: -98.871103
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -264.624346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.624346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.624346 (E_RNA)
where:
Base-Base interactions energy: -168.957
where: short stacking energy: -79.037
Base-Backbone interact. energy: -0.056
local terms energy: -95.611156
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -248.306372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.306372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.306372 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.235
local terms energy: -89.353320
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -17.105
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: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -233.830830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.830830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.830830 (E_RNA)
where:
Base-Base interactions energy: -144.109
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.071
local terms energy: -89.650930
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -247.840752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.840752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.840752 (E_RNA)
where:
Base-Base interactions energy: -155.585
where: short stacking energy: -62.795
Base-Backbone interact. energy: 2.994
local terms energy: -95.250229
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -15.152
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: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -174.675692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.675692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.675692 (E_RNA)
where:
Base-Base interactions energy: -105.277
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.375
local terms energy: -69.023886
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -346.705819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.705819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.705819 (E_RNA)
where:
Base-Base interactions energy: -233.769
where: short stacking energy: -105.371
Base-Backbone interact. energy: -0.895
local terms energy: -112.042120
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -32.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -345.949338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.949338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.949338 (E_RNA)
where:
Base-Base interactions energy: -230.590
where: short stacking energy: -91.285
Base-Backbone interact. energy: -1.113
local terms energy: -114.246168
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -321.127485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.127485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.127485 (E_RNA)
where:
Base-Base interactions energy: -211.337
where: short stacking energy: -88.223
Base-Backbone interact. energy: -0.147
local terms energy: -109.643518
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -29.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -275.609511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.609511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.609511 (E_RNA)
where:
Base-Base interactions energy: -179.903
where: short stacking energy: -80.049
Base-Backbone interact. energy: -0.257
local terms energy: -95.449778
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -261.467858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.467858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.467858 (E_RNA)
where:
Base-Base interactions energy: -165.713
where: short stacking energy: -78.405
Base-Backbone interact. energy: 0.478
local terms energy: -96.232905
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -17.882
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: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -259.786945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.786945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.786945 (E_RNA)
where:
Base-Base interactions energy: -162.482
where: short stacking energy: -78.423
Base-Backbone interact. energy: -0.110
local terms energy: -97.194976
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -263.453172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.453172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.453172 (E_RNA)
where:
Base-Base interactions energy: -167.104
where: short stacking energy: -74.503
Base-Backbone interact. energy: -1.422
local terms energy: -94.926536
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -225.205738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.205738 (E_RNA)
where:
Base-Base interactions energy: -139.654
where: short stacking energy: -68.651
Base-Backbone interact. energy: 0.706
local terms energy: -86.257752
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -231.250551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.250551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.250551 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.236
local terms energy: -89.863399
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -180.294841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.294841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.294841 (E_RNA)
where:
Base-Base interactions energy: -104.395
where: short stacking energy: -54.798
Base-Backbone interact. energy: 0.760
local terms energy: -76.659839
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -357.981488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.981488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.981488 (E_RNA)
where:
Base-Base interactions energy: -241.710
where: short stacking energy: -100.003
Base-Backbone interact. energy: -0.272
local terms energy: -115.998699
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -337.796552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.796552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.796552 (E_RNA)
where:
Base-Base interactions energy: -223.076
where: short stacking energy: -104.719
Base-Backbone interact. energy: -0.146
local terms energy: -114.574391
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -21.829
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: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -312.945083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.945083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.945083 (E_RNA)
where:
Base-Base interactions energy: -210.976
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.070
local terms energy: -101.899296
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -310.883905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.883905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.883905 (E_RNA)
where:
Base-Base interactions energy: -199.035
where: short stacking energy: -88.712
Base-Backbone interact. energy: -0.670
local terms energy: -111.179675
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -276.224626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.224626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.224626 (E_RNA)
where:
Base-Base interactions energy: -178.511
where: short stacking energy: -86.016
Base-Backbone interact. energy: 0.688
local terms energy: -98.401904
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -265.432189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.432189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.432189 (E_RNA)
where:
Base-Base interactions energy: -169.402
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.799
local terms energy: -95.230632
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -20.413
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: 309
Temperature: 1.200000
Total energy: -264.396384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.396384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.396384 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.422
local terms energy: -100.363955
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -16.903
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: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -215.281047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.281047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.281047 (E_RNA)
where:
Base-Base interactions energy: -143.154
where: short stacking energy: -66.833
Base-Backbone interact. energy: 1.790
local terms energy: -73.916192
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -225.850288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.850288 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.621
local terms energy: -90.510337
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -193.543630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.543630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.543630 (E_RNA)
where:
Base-Base interactions energy: -117.387
where: short stacking energy: -57.484
Base-Backbone interact. energy: -1.021
local terms energy: -75.136344
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -6.891
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: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -362.436586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.436586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.436586 (E_RNA)
where:
Base-Base interactions energy: -243.040
where: short stacking energy: -104.017
Base-Backbone interact. energy: -2.018
local terms energy: -117.378825
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -31.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -339.745940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.745940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.745940 (E_RNA)
where:
Base-Base interactions energy: -229.754
where: short stacking energy: -86.771
Base-Backbone interact. energy: -0.473
local terms energy: -109.518907
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -307.767454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.767454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.767454 (E_RNA)
where:
Base-Base interactions energy: -205.954
where: short stacking energy: -92.180
Base-Backbone interact. energy: -0.087
local terms energy: -101.725826
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -20.207
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -311.548040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.548040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.548040 (E_RNA)
where:
Base-Base interactions energy: -211.552
where: short stacking energy: -97.374
Base-Backbone interact. energy: -0.151
local terms energy: -99.844921
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -26.970
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: 310
Temperature: 1.100000
Total energy: -288.447199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.447199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.447199 (E_RNA)
where:
Base-Base interactions energy: -198.156
where: short stacking energy: -80.947
Base-Backbone interact. energy: 0.141
local terms energy: -90.432155
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -273.932445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.932445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.932445 (E_RNA)
where:
Base-Base interactions energy: -177.868
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.153
local terms energy: -95.911479
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -17.913
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: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -195.719811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719811 (E_RNA)
where:
Base-Base interactions energy: -110.726
where: short stacking energy: -46.938
Base-Backbone interact. energy: 0.178
local terms energy: -85.172630
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -7.912
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: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -232.033089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.033089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.033089 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -63.967
Base-Backbone interact. energy: 1.256
local terms energy: -81.715984
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -11.639
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: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -227.311606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311606 (E_RNA)
where:
Base-Base interactions energy: -145.725
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.041
local terms energy: -81.545487
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -173.211618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.211618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.211618 (E_RNA)
where:
Base-Base interactions energy: -92.549
where: short stacking energy: -45.234
Base-Backbone interact. energy: -0.692
local terms energy: -79.970764
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -5.931
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: 311
Temperature: 0.900000
Total energy: -360.669586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.669586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.669586 (E_RNA)
where:
Base-Base interactions energy: -246.541
where: short stacking energy: -105.420
Base-Backbone interact. energy: -0.613
local terms energy: -113.515558
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -335.578215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.578215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.578215 (E_RNA)
where:
Base-Base interactions energy: -230.916
where: short stacking energy: -89.217
Base-Backbone interact. energy: 1.080
local terms energy: -105.742126
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -309.388203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.388203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.388203 (E_RNA)
where:
Base-Base interactions energy: -201.450
where: short stacking energy: -93.941
Base-Backbone interact. energy: -0.004
local terms energy: -107.934657
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -27.798
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: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -295.294859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.294859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294859 (E_RNA)
where:
Base-Base interactions energy: -205.014
where: short stacking energy: -77.910
Base-Backbone interact. energy: -1.016
local terms energy: -89.264366
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.044
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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -278.756268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.756268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.756268 (E_RNA)
where:
Base-Base interactions energy: -182.916
where: short stacking energy: -88.650
Base-Backbone interact. energy: -0.230
local terms energy: -95.610094
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -18.117
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: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -263.355372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.355372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.355372 (E_RNA)
where:
Base-Base interactions energy: -173.681
where: short stacking energy: -87.983
Base-Backbone interact. energy: -0.011
local terms energy: -89.663243
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -23.154
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: 311
Temperature: 1.200000
Total energy: -185.805438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.805438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.805438 (E_RNA)
where:
Base-Base interactions energy: -110.596
where: short stacking energy: -33.575
Base-Backbone interact. energy: -1.537
local terms energy: -73.672522
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -255.823168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.823168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.823168 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -81.001
Base-Backbone interact. energy: -0.814
local terms energy: -88.674138
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -234.020918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.020918 (E_RNA)
where:
Base-Base interactions energy: -161.741
where: short stacking energy: -70.108
Base-Backbone interact. energy: 0.658
local terms energy: -72.937768
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -183.606985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606985 (E_RNA)
where:
Base-Base interactions energy: -112.340
where: short stacking energy: -51.105
Base-Backbone interact. energy: 0.244
local terms energy: -71.510970
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -355.353448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.353448 (E_RNA)
where:
Base-Base interactions energy: -231.732
where: short stacking energy: -104.333
Base-Backbone interact. energy: 0.006
local terms energy: -123.627581
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -30.553
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: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -339.551676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.551676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.551676 (E_RNA)
where:
Base-Base interactions energy: -236.085
where: short stacking energy: -92.709
Base-Backbone interact. energy: -0.431
local terms energy: -103.035084
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -311.653959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.653959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.653959 (E_RNA)
where:
Base-Base interactions energy: -212.585
where: short stacking energy: -94.831
Base-Backbone interact. energy: -0.352
local terms energy: -98.716126
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -10.049
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: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -294.627067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.627067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.627067 (E_RNA)
where:
Base-Base interactions energy: -190.834
where: short stacking energy: -81.145
Base-Backbone interact. energy: -1.031
local terms energy: -102.762099
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -293.055042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.055042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.055042 (E_RNA)
where:
Base-Base interactions energy: -198.139
where: short stacking energy: -86.531
Base-Backbone interact. energy: -0.105
local terms energy: -94.810106
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -256.271776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.271776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.271776 (E_RNA)
where:
Base-Base interactions energy: -166.826
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.313
local terms energy: -89.131947
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -251.076637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.076637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.076637 (E_RNA)
where:
Base-Base interactions energy: -166.746
where: short stacking energy: -69.619
Base-Backbone interact. energy: -0.190
local terms energy: -84.140660
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -11.637
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: 312
Temperature: 1.250000
Total energy: -202.398695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398695 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -52.401
Base-Backbone interact. energy: -0.612
local terms energy: -80.922941
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -231.127815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.127815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.127815 (E_RNA)
where:
Base-Base interactions energy: -150.782
where: short stacking energy: -62.174
Base-Backbone interact. energy: 0.384
local terms energy: -80.729771
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -117.450354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.450354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.450354 (E_RNA)
where:
Base-Base interactions energy: -48.374
where: short stacking energy: -38.362
Base-Backbone interact. energy: -0.303
local terms energy: -68.773201
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -3.990
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: 313
Temperature: 0.900000
Total energy: -348.806005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.806005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.806005 (E_RNA)
where:
Base-Base interactions energy: -238.562
where: short stacking energy: -107.517
Base-Backbone interact. energy: -0.886
local terms energy: -109.358024
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -349.317253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.317253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.317253 (E_RNA)
where:
Base-Base interactions energy: -246.095
where: short stacking energy: -103.101
Base-Backbone interact. energy: 0.747
local terms energy: -103.969102
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -319.926639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.926639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.926639 (E_RNA)
where:
Base-Base interactions energy: -211.547
where: short stacking energy: -90.701
Base-Backbone interact. energy: -0.228
local terms energy: -108.152410
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -26.553
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: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -293.099961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.099961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.099961 (E_RNA)
where:
Base-Base interactions energy: -187.861
where: short stacking energy: -88.774
Base-Backbone interact. energy: -0.076
local terms energy: -105.163584
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -26.294
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: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -276.627551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.627551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.627551 (E_RNA)
where:
Base-Base interactions energy: -176.380
where: short stacking energy: -81.805
Base-Backbone interact. energy: -0.142
local terms energy: -100.105495
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -268.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.118794 (E_RNA)
where:
Base-Base interactions energy: -168.780
where: short stacking energy: -80.963
Base-Backbone interact. energy: -0.005
local terms energy: -99.333694
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -249.187645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.187645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.187645 (E_RNA)
where:
Base-Base interactions energy: -160.724
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.221
local terms energy: -88.242849
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -259.538227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.538227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.538227 (E_RNA)
where:
Base-Base interactions energy: -171.099
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.802
local terms energy: -87.637049
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -11.996
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: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -210.751459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.751459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.751459 (E_RNA)
where:
Base-Base interactions energy: -133.777
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.748
local terms energy: -76.227105
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -118.660501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.660501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.660501 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.678
local terms energy: -77.820509
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: 0.566
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: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -348.357700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.357700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.357700 (E_RNA)
where:
Base-Base interactions energy: -237.942
where: short stacking energy: -103.812
Base-Backbone interact. energy: -0.209
local terms energy: -110.206415
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -351.953431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.953431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.953431 (E_RNA)
where:
Base-Base interactions energy: -253.590
where: short stacking energy: -96.203
Base-Backbone interact. energy: -1.628
local terms energy: -96.734697
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -329.964529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.964529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.964529 (E_RNA)
where:
Base-Base interactions energy: -216.516
where: short stacking energy: -101.614
Base-Backbone interact. energy: 1.495
local terms energy: -114.943437
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -28.854
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: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -294.540496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.540496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.540496 (E_RNA)
where:
Base-Base interactions energy: -187.004
where: short stacking energy: -90.653
Base-Backbone interact. energy: -0.097
local terms energy: -107.439550
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -24.520
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: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -281.724643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.724643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.724643 (E_RNA)
where:
Base-Base interactions energy: -184.644
where: short stacking energy: -85.499
Base-Backbone interact. energy: -0.424
local terms energy: -96.656813
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -275.517363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.517363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.517363 (E_RNA)
where:
Base-Base interactions energy: -179.589
where: short stacking energy: -83.348
Base-Backbone interact. energy: -0.171
local terms energy: -95.757540
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -243.115266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.115266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.115266 (E_RNA)
where:
Base-Base interactions energy: -152.581
where: short stacking energy: -65.524
Base-Backbone interact. energy: -1.746
local terms energy: -88.788727
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -202.030890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.030890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.030890 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.609
local terms energy: -72.585176
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -231.070300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070300 (E_RNA)
where:
Base-Base interactions energy: -151.752
where: short stacking energy: -62.447
Base-Backbone interact. energy: 1.044
local terms energy: -80.362777
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -109.521257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.521257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.521257 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -34.179
Base-Backbone interact. energy: -0.191
local terms energy: -68.138350
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -339.067046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.067046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.067046 (E_RNA)
where:
Base-Base interactions energy: -224.865
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.718
local terms energy: -113.484767
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -26.819
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: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -357.827513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.827513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.827513 (E_RNA)
where:
Base-Base interactions energy: -245.946
where: short stacking energy: -108.352
Base-Backbone interact. energy: -0.228
local terms energy: -111.653957
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -28.845
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: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -316.161626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.161626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.161626 (E_RNA)
where:
Base-Base interactions energy: -209.432
where: short stacking energy: -89.009
Base-Backbone interact. energy: -0.315
local terms energy: -106.414694
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.679
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: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -283.386741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.386741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.386741 (E_RNA)
where:
Base-Base interactions energy: -174.986
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.310
local terms energy: -108.090720
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -20.408
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: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -290.047547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.047547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.047547 (E_RNA)
where:
Base-Base interactions energy: -187.969
where: short stacking energy: -89.560
Base-Backbone interact. energy: -0.117
local terms energy: -101.960654
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -24.244
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -283.894649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.894649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.894649 (E_RNA)
where:
Base-Base interactions energy: -185.413
where: short stacking energy: -88.773
Base-Backbone interact. energy: -0.199
local terms energy: -98.283057
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -253.096798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.096798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.096798 (E_RNA)
where:
Base-Base interactions energy: -166.930
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.337
local terms energy: -85.829540
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -215.349288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.349288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.349288 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.163
local terms energy: -86.129624
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -13.007
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: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -191.009085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.009085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.009085 (E_RNA)
where:
Base-Base interactions energy: -109.367
where: short stacking energy: -52.060
Base-Backbone interact. energy: 0.150
local terms energy: -81.792733
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -100.225824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.225824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.225824 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.829
local terms energy: -60.276402
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: 5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -338.351270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.351270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.351270 (E_RNA)
where:
Base-Base interactions energy: -230.872
where: short stacking energy: -104.523
Base-Backbone interact. energy: 0.783
local terms energy: -108.263004
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -358.999360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.999360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.999360 (E_RNA)
where:
Base-Base interactions energy: -243.829
where: short stacking energy: -107.924
Base-Backbone interact. energy: -0.271
local terms energy: -114.899210
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -30.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -323.766703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.766703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.766703 (E_RNA)
where:
Base-Base interactions energy: -223.275
where: short stacking energy: -99.272
Base-Backbone interact. energy: -1.714
local terms energy: -98.777250
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -24.435
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: 316
Temperature: 1.050000
Total energy: -286.754073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.754073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.754073 (E_RNA)
where:
Base-Base interactions energy: -180.928
where: short stacking energy: -80.601
Base-Backbone interact. energy: -1.105
local terms energy: -104.721223
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -25.142
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: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -277.961460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.961460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.961460 (E_RNA)
where:
Base-Base interactions energy: -172.731
where: short stacking energy: -93.294
Base-Backbone interact. energy: -0.210
local terms energy: -105.021198
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -14.812
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: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -284.222618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.222618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.222618 (E_RNA)
where:
Base-Base interactions energy: -182.894
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.177
local terms energy: -101.151486
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -14.614
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: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -273.399651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.399651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.399651 (E_RNA)
where:
Base-Base interactions energy: -182.613
where: short stacking energy: -85.314
Base-Backbone interact. energy: -0.045
local terms energy: -90.742369
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.310
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: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -218.648426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648426 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.206
local terms energy: -90.623520
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -13.970
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -217.106211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.106211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.106211 (E_RNA)
where:
Base-Base interactions energy: -127.623
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.870
local terms energy: -88.613634
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -112.045066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.045066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.045066 (E_RNA)
where:
Base-Base interactions energy: -38.651
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.258
local terms energy: -73.136197
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -361.619442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.619442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.619442 (E_RNA)
where:
Base-Base interactions energy: -250.882
where: short stacking energy: -105.415
Base-Backbone interact. energy: -0.207
local terms energy: -110.530549
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -360.540362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.540362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.540362 (E_RNA)
where:
Base-Base interactions energy: -249.099
where: short stacking energy: -116.140
Base-Backbone interact. energy: -0.285
local terms energy: -111.156432
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -29.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -329.138919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.138919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.138919 (E_RNA)
where:
Base-Base interactions energy: -214.853
where: short stacking energy: -96.937
Base-Backbone interact. energy: -0.192
local terms energy: -114.093210
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -285.117430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.117430 (E_RNA)
where:
Base-Base interactions energy: -188.027
where: short stacking energy: -85.193
Base-Backbone interact. energy: -0.255
local terms energy: -96.835210
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -21.984
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: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -285.849289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.849289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.849289 (E_RNA)
where:
Base-Base interactions energy: -180.313
where: short stacking energy: -89.510
Base-Backbone interact. energy: -0.007
local terms energy: -105.529234
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -266.711625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.711625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.711625 (E_RNA)
where:
Base-Base interactions energy: -179.359
where: short stacking energy: -64.489
Base-Backbone interact. energy: -1.274
local terms energy: -86.077845
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -14.734
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: 317
Temperature: 1.200000
Total energy: -260.427639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.427639 (E_RNA)
where:
Base-Base interactions energy: -168.356
where: short stacking energy: -71.337
Base-Backbone interact. energy: 1.530
local terms energy: -93.601917
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -11.303
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: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -254.916069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.916069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.916069 (E_RNA)
where:
Base-Base interactions energy: -165.363
where: short stacking energy: -71.920
Base-Backbone interact. energy: -0.767
local terms energy: -88.785949
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -197.060642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060642 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.753
local terms energy: -67.037504
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -5.503
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: 317
Temperature: 1.350000
Total energy: -113.100568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.100568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.100568 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.286
local terms energy: -69.158647
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -369.980823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.980823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.980823 (E_RNA)
where:
Base-Base interactions energy: -262.156
where: short stacking energy: -102.176
Base-Backbone interact. energy: -0.365
local terms energy: -107.459825
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -15.753
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: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -352.187616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.187616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.187616 (E_RNA)
where:
Base-Base interactions energy: -241.819
where: short stacking energy: -104.364
Base-Backbone interact. energy: 0.416
local terms energy: -110.784517
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -27.846
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: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -337.231613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.231613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.231613 (E_RNA)
where:
Base-Base interactions energy: -220.311
where: short stacking energy: -98.147
Base-Backbone interact. energy: 2.242
local terms energy: -119.162907
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -32.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -294.204889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.204889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.204889 (E_RNA)
where:
Base-Base interactions energy: -199.832
where: short stacking energy: -89.906
Base-Backbone interact. energy: -0.112
local terms energy: -94.261510
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -23.345
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: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -276.563531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.563531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.563531 (E_RNA)
where:
Base-Base interactions energy: -178.856
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.252
local terms energy: -97.456051
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -274.002402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.002402 (E_RNA)
where:
Base-Base interactions energy: -183.744
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.062
local terms energy: -90.195897
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -8.828
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: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -245.358985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.358985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.358985 (E_RNA)
where:
Base-Base interactions energy: -156.066
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.337
local terms energy: -88.955810
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -20.322
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: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -259.207847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.207847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.207847 (E_RNA)
where:
Base-Base interactions energy: -169.897
where: short stacking energy: -75.434
Base-Backbone interact. energy: -0.381
local terms energy: -88.929566
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -135.735369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.735369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.735369 (E_RNA)
where:
Base-Base interactions energy: -62.049
where: short stacking energy: -36.727
Base-Backbone interact. energy: -1.040
local terms energy: -72.645903
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.648
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: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -202.616046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.616046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.616046 (E_RNA)
where:
Base-Base interactions energy: -114.775
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.270
local terms energy: -87.570962
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -16.318
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: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -357.670813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.670813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.670813 (E_RNA)
where:
Base-Base interactions energy: -247.692
where: short stacking energy: -95.014
Base-Backbone interact. energy: -1.257
local terms energy: -108.721508
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -348.726010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.726010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.726010 (E_RNA)
where:
Base-Base interactions energy: -244.612
where: short stacking energy: -97.378
Base-Backbone interact. energy: 1.403
local terms energy: -105.516842
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -13.870
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: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -317.097240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.097240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.097240 (E_RNA)
where:
Base-Base interactions energy: -215.473
where: short stacking energy: -88.188
Base-Backbone interact. energy: 1.169
local terms energy: -102.792727
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -295.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.470632 (E_RNA)
where:
Base-Base interactions energy: -180.861
where: short stacking energy: -101.492
Base-Backbone interact. energy: -0.038
local terms energy: -114.572091
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -288.633454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.633454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.633454 (E_RNA)
where:
Base-Base interactions energy: -183.416
where: short stacking energy: -86.719
Base-Backbone interact. energy: -0.437
local terms energy: -104.781093
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -18.132
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: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -262.804666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.804666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.804666 (E_RNA)
where:
Base-Base interactions energy: -173.004
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.433
local terms energy: -89.367666
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -21.064
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: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -245.651480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.651480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.651480 (E_RNA)
where:
Base-Base interactions energy: -160.059
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.738
local terms energy: -84.854028
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -19.648
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -253.264993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.264993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.264993 (E_RNA)
where:
Base-Base interactions energy: -164.266
where: short stacking energy: -75.460
Base-Backbone interact. energy: -0.156
local terms energy: -88.842925
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -147.017125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.017125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.017125 (E_RNA)
where:
Base-Base interactions energy: -65.418
where: short stacking energy: -38.111
Base-Backbone interact. energy: 0.187
local terms energy: -81.785543
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -184.230575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.230575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.230575 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.705
local terms energy: -74.833698
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -350.171030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.171030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.171030 (E_RNA)
where:
Base-Base interactions energy: -232.928
where: short stacking energy: -95.799
Base-Backbone interact. energy: 0.472
local terms energy: -117.715669
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -19.636
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: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -342.798673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.798673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.798673 (E_RNA)
where:
Base-Base interactions energy: -239.003
where: short stacking energy: -95.304
Base-Backbone interact. energy: 1.895
local terms energy: -105.690671
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -292.806053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.806053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.806053 (E_RNA)
where:
Base-Base interactions energy: -182.572
where: short stacking energy: -90.387
Base-Backbone interact. energy: -0.251
local terms energy: -109.983208
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -296.982417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.982417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.982417 (E_RNA)
where:
Base-Base interactions energy: -204.343
where: short stacking energy: -84.188
Base-Backbone interact. energy: -0.910
local terms energy: -91.729412
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -23.611
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -276.875417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.875417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.875417 (E_RNA)
where:
Base-Base interactions energy: -177.995
where: short stacking energy: -88.105
Base-Backbone interact. energy: 1.092
local terms energy: -99.972441
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.888
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: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -272.716812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.716812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.716812 (E_RNA)
where:
Base-Base interactions energy: -174.663
where: short stacking energy: -68.378
Base-Backbone interact. energy: -1.494
local terms energy: -96.560145
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -259.115902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.115902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.115902 (E_RNA)
where:
Base-Base interactions energy: -156.802
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.239
local terms energy: -102.074844
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -250.439621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.439621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.439621 (E_RNA)
where:
Base-Base interactions energy: -163.208
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.041
local terms energy: -87.190444
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -208.452971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.452971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.452971 (E_RNA)
where:
Base-Base interactions energy: -137.883
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.521
local terms energy: -70.049684
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -121.850639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.850639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.850639 (E_RNA)
where:
Base-Base interactions energy: -51.988
where: short stacking energy: -32.712
Base-Backbone interact. energy: -0.371
local terms energy: -69.491288
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -359.533773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.533773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.533773 (E_RNA)
where:
Base-Base interactions energy: -248.733
where: short stacking energy: -102.962
Base-Backbone interact. energy: -0.315
local terms energy: -110.485783
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -16.147
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: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -335.495886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.495886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.495886 (E_RNA)
where:
Base-Base interactions energy: -230.073
where: short stacking energy: -98.708
Base-Backbone interact. energy: -0.605
local terms energy: -104.817861
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -24.617
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: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -295.955354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.955354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.955354 (E_RNA)
where:
Base-Base interactions energy: -195.370
where: short stacking energy: -95.665
Base-Backbone interact. energy: -0.170
local terms energy: -100.415123
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -302.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.116581 (E_RNA)
where:
Base-Base interactions energy: -200.483
where: short stacking energy: -84.126
Base-Backbone interact. energy: 1.068
local terms energy: -102.702125
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -272.839766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.839766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.839766 (E_RNA)
where:
Base-Base interactions energy: -187.220
where: short stacking energy: -89.978
Base-Backbone interact. energy: -0.484
local terms energy: -85.136106
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -270.339817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.339817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.339817 (E_RNA)
where:
Base-Base interactions energy: -176.081
where: short stacking energy: -91.036
Base-Backbone interact. energy: 2.461
local terms energy: -96.719221
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -15.613
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: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -260.846957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846957 (E_RNA)
where:
Base-Base interactions energy: -168.162
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.461
local terms energy: -92.223432
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -241.277767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.277767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.277767 (E_RNA)
where:
Base-Base interactions energy: -152.371
where: short stacking energy: -63.534
Base-Backbone interact. energy: -0.260
local terms energy: -88.646731
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -13.183
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: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -229.080210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.080210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080210 (E_RNA)
where:
Base-Base interactions energy: -149.909
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.161
local terms energy: -79.009820
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -121.322288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.322288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.322288 (E_RNA)
where:
Base-Base interactions energy: -54.538
where: short stacking energy: -50.837
Base-Backbone interact. energy: -0.168
local terms energy: -66.615842
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -357.467684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.467684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.467684 (E_RNA)
where:
Base-Base interactions energy: -245.380
where: short stacking energy: -97.398
Base-Backbone interact. energy: -0.433
local terms energy: -111.654333
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -24.967
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: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -346.184779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.184779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.184779 (E_RNA)
where:
Base-Base interactions energy: -243.459
where: short stacking energy: -92.637
Base-Backbone interact. energy: -0.278
local terms energy: -102.447918
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -14.036
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: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -311.818370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.818370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.818370 (E_RNA)
where:
Base-Base interactions energy: -210.708
where: short stacking energy: -98.803
Base-Backbone interact. energy: -0.369
local terms energy: -100.741384
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -302.752408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.752408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.752408 (E_RNA)
where:
Base-Base interactions energy: -196.375
where: short stacking energy: -87.263
Base-Backbone interact. energy: -0.601
local terms energy: -105.775564
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -278.513077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.513077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.513077 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -83.623
Base-Backbone interact. energy: 0.060
local terms energy: -100.759637
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -24.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -262.988041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.988041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.988041 (E_RNA)
where:
Base-Base interactions energy: -165.294
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.456
local terms energy: -97.238609
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -253.788308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.788308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.788308 (E_RNA)
where:
Base-Base interactions energy: -165.905
where: short stacking energy: -77.784
Base-Backbone interact. energy: 2.680
local terms energy: -90.562719
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -241.574008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.574008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.574008 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.098
local terms energy: -84.298764
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -215.308512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.308512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.308512 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.295
local terms energy: -87.108515
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -101.073255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.073255 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -31.367
Base-Backbone interact. energy: 0.539
local terms energy: -65.657501
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -342.237709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.237709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.237709 (E_RNA)
where:
Base-Base interactions energy: -237.718
where: short stacking energy: -105.020
Base-Backbone interact. energy: 2.301
local terms energy: -106.820568
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -348.825779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.825779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.825779 (E_RNA)
where:
Base-Base interactions energy: -239.094
where: short stacking energy: -96.627
Base-Backbone interact. energy: -0.229
local terms energy: -109.503191
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -28.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -328.874122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.874122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.874122 (E_RNA)
where:
Base-Base interactions energy: -221.620
where: short stacking energy: -104.814
Base-Backbone interact. energy: -0.801
local terms energy: -106.452730
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -31.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -303.158181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.158181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.158181 (E_RNA)
where:
Base-Base interactions energy: -201.115
where: short stacking energy: -101.308
Base-Backbone interact. energy: -0.987
local terms energy: -101.055423
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -29.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -268.122529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.122529 (E_RNA)
where:
Base-Base interactions energy: -176.404
where: short stacking energy: -71.686
Base-Backbone interact. energy: 0.646
local terms energy: -92.365300
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -248.820847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.820847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.820847 (E_RNA)
where:
Base-Base interactions energy: -153.374
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.227
local terms energy: -95.219721
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -252.650812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.650812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.650812 (E_RNA)
where:
Base-Base interactions energy: -168.765
where: short stacking energy: -78.547
Base-Backbone interact. energy: -0.887
local terms energy: -82.998086
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -11.440
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: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -252.408564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.408564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.408564 (E_RNA)
where:
Base-Base interactions energy: -161.815
where: short stacking energy: -88.595
Base-Backbone interact. energy: -0.141
local terms energy: -90.452391
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -221.179372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.179372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.179372 (E_RNA)
where:
Base-Base interactions energy: -130.795
where: short stacking energy: -64.115
Base-Backbone interact. energy: 0.272
local terms energy: -90.655969
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -11.253
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: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -105.976948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.976948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.976948 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.184
local terms energy: -78.794342
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -363.658494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.658494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.658494 (E_RNA)
where:
Base-Base interactions energy: -253.673
where: short stacking energy: -95.518
Base-Backbone interact. energy: 0.082
local terms energy: -110.068256
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -24.717
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: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -336.410280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.410280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.410280 (E_RNA)
where:
Base-Base interactions energy: -225.709
where: short stacking energy: -101.742
Base-Backbone interact. energy: 1.315
local terms energy: -112.016281
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -302.491617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.491617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.491617 (E_RNA)
where:
Base-Base interactions energy: -197.946
where: short stacking energy: -91.898
Base-Backbone interact. energy: -0.387
local terms energy: -104.159091
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -22.542
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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -327.796644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.796644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.796644 (E_RNA)
where:
Base-Base interactions energy: -209.350
where: short stacking energy: -93.260
Base-Backbone interact. energy: -0.194
local terms energy: -118.252899
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -31.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -265.493411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.493411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.493411 (E_RNA)
where:
Base-Base interactions energy: -170.768
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.104
local terms energy: -94.621437
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -6.771
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: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -260.889165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.889165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.889165 (E_RNA)
where:
Base-Base interactions energy: -167.772
where: short stacking energy: -73.222
Base-Backbone interact. energy: -0.341
local terms energy: -92.775346
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -255.284598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.284598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.284598 (E_RNA)
where:
Base-Base interactions energy: -169.110
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.241
local terms energy: -85.934300
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -252.352596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352596 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -74.465
Base-Backbone interact. energy: -0.019
local terms energy: -97.551186
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.328
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: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -216.473358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473358 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.041
local terms energy: -88.108509
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -120.828471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.828471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.828471 (E_RNA)
where:
Base-Base interactions energy: -45.402
where: short stacking energy: -38.777
Base-Backbone interact. energy: -0.140
local terms energy: -75.287012
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -1.899
tors. eta vs tors. theta energy: -8.483
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -369.984006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.984006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.984006 (E_RNA)
where:
Base-Base interactions energy: -253.074
where: short stacking energy: -101.897
Base-Backbone interact. energy: -0.307
local terms energy: -116.602987
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -24.475
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: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -340.887314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.887314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.887314 (E_RNA)
where:
Base-Base interactions energy: -232.258
where: short stacking energy: -95.770
Base-Backbone interact. energy: -0.488
local terms energy: -108.141557
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -29.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -280.931528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.931528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.931528 (E_RNA)
where:
Base-Base interactions energy: -174.344
where: short stacking energy: -84.746
Base-Backbone interact. energy: 0.356
local terms energy: -106.943511
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -14.923
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: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -311.905386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.905386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.905386 (E_RNA)
where:
Base-Base interactions energy: -220.650
where: short stacking energy: -84.189
Base-Backbone interact. energy: -0.058
local terms energy: -91.197359
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -290.865646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.865646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.865646 (E_RNA)
where:
Base-Base interactions energy: -195.659
where: short stacking energy: -92.086
Base-Backbone interact. energy: -0.779
local terms energy: -94.427727
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -250.036686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.036686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.036686 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -70.935
Base-Backbone interact. energy: 0.664
local terms energy: -84.815577
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -12.512
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -248.760712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.760712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.760712 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.453
local terms energy: -103.194916
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -14.065
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -257.435281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.435281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.435281 (E_RNA)
where:
Base-Base interactions energy: -171.057
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.145
local terms energy: -86.233246
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -168.560225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.560225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.560225 (E_RNA)
where:
Base-Base interactions energy: -87.608
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.435
local terms energy: -80.516953
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -10.442
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: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -107.968683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.968683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.968683 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -30.494
Base-Backbone interact. energy: -0.213
local terms energy: -60.487566
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -1.474
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -363.569648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.569648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.569648 (E_RNA)
where:
Base-Base interactions energy: -245.956
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.363
local terms energy: -117.250307
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -28.670
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: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -352.710706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.710706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.710706 (E_RNA)
where:
Base-Base interactions energy: -230.506
where: short stacking energy: -97.917
Base-Backbone interact. energy: 3.332
local terms energy: -125.536175
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -28.321
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: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -315.157191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.157191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.157191 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.175
local terms energy: -118.910274
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -29.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -293.089014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.089014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.089014 (E_RNA)
where:
Base-Base interactions energy: -191.363
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.172
local terms energy: -101.554159
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -295.587748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.587748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.587748 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -83.156
Base-Backbone interact. energy: -0.407
local terms energy: -96.505811
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -26.623
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: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -255.921203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.921203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.921203 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -62.525
Base-Backbone interact. energy: 1.032
local terms energy: -98.474342
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -257.780028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.780028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.780028 (E_RNA)
where:
Base-Base interactions energy: -162.982
where: short stacking energy: -81.503
Base-Backbone interact. energy: -0.273
local terms energy: -94.524745
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -240.880000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.880000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.880000 (E_RNA)
where:
Base-Base interactions energy: -158.535
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.295
local terms energy: -82.049812
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -214.001694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001694 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.246
local terms energy: -88.662719
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -9.337
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: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -108.326751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.326751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.326751 (E_RNA)
where:
Base-Base interactions energy: -48.127
where: short stacking energy: -43.633
Base-Backbone interact. energy: 0.378
local terms energy: -60.577524
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -358.404270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.404270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.404270 (E_RNA)
where:
Base-Base interactions energy: -248.536
where: short stacking energy: -102.662
Base-Backbone interact. energy: 0.592
local terms energy: -110.460115
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -340.978297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.978297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.978297 (E_RNA)
where:
Base-Base interactions energy: -239.969
where: short stacking energy: -99.205
Base-Backbone interact. energy: -1.080
local terms energy: -99.929324
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -287.907063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.907063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.907063 (E_RNA)
where:
Base-Base interactions energy: -183.522
where: short stacking energy: -96.182
Base-Backbone interact. energy: -0.036
local terms energy: -104.349357
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -291.429031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.429031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.429031 (E_RNA)
where:
Base-Base interactions energy: -179.056
where: short stacking energy: -91.695
Base-Backbone interact. energy: -0.479
local terms energy: -111.894499
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -27.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -287.732889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.732889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.732889 (E_RNA)
where:
Base-Base interactions energy: -182.520
where: short stacking energy: -84.068
Base-Backbone interact. energy: -0.918
local terms energy: -104.295020
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -253.538872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.538872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.538872 (E_RNA)
where:
Base-Base interactions energy: -174.807
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.093
local terms energy: -78.639666
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -213.143406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.143406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.143406 (E_RNA)
where:
Base-Base interactions energy: -137.844
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.613
local terms energy: -74.686079
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -237.603876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.603876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603876 (E_RNA)
where:
Base-Base interactions energy: -152.383
where: short stacking energy: -58.427
Base-Backbone interact. energy: -0.457
local terms energy: -84.763243
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -234.260311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.260311 (E_RNA)
where:
Base-Base interactions energy: -143.474
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.158
local terms energy: -90.627916
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -124.312444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.312444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.312444 (E_RNA)
where:
Base-Base interactions energy: -49.645
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.281
local terms energy: -74.386471
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -365.241890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.241890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.241890 (E_RNA)
where:
Base-Base interactions energy: -248.846
where: short stacking energy: -99.186
Base-Backbone interact. energy: -0.134
local terms energy: -116.261860
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -25.547
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: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -327.960627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.960627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.960627 (E_RNA)
where:
Base-Base interactions energy: -228.633
where: short stacking energy: -103.940
Base-Backbone interact. energy: 1.972
local terms energy: -101.299829
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -308.248970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.248970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.248970 (E_RNA)
where:
Base-Base interactions energy: -194.191
where: short stacking energy: -103.273
Base-Backbone interact. energy: -0.102
local terms energy: -113.956264
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -287.866201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.866201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.866201 (E_RNA)
where:
Base-Base interactions energy: -188.611
where: short stacking energy: -87.071
Base-Backbone interact. energy: -0.745
local terms energy: -98.510613
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -22.729
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: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -281.874780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.874780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.874780 (E_RNA)
where:
Base-Base interactions energy: -193.120
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.379
local terms energy: -88.375614
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -264.745907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.745907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.745907 (E_RNA)
where:
Base-Base interactions energy: -170.785
where: short stacking energy: -80.205
Base-Backbone interact. energy: -0.709
local terms energy: -93.251597
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -250.012941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.012941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.012941 (E_RNA)
where:
Base-Base interactions energy: -163.634
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.785
local terms energy: -85.593348
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -13.695
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: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -206.292023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.292023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.292023 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.169
local terms energy: -82.894222
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -216.287300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.287300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.287300 (E_RNA)
where:
Base-Base interactions energy: -140.477
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.330
local terms energy: -75.480037
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -11.597
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: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -105.658975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.658975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.658975 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -19.197
Base-Backbone interact. energy: 0.656
local terms energy: -81.354245
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -365.143234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.143234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.143234 (E_RNA)
where:
Base-Base interactions energy: -254.776
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.400
local terms energy: -109.967824
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -23.723
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: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -324.845620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.845620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.845620 (E_RNA)
where:
Base-Base interactions energy: -204.712
where: short stacking energy: -100.438
Base-Backbone interact. energy: -0.471
local terms energy: -119.662270
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -33.508
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: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -330.942569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.942569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.942569 (E_RNA)
where:
Base-Base interactions energy: -218.853
where: short stacking energy: -105.039
Base-Backbone interact. energy: 0.390
local terms energy: -112.480133
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -26.312
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -26.088
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: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -295.288431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.288431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.288431 (E_RNA)
where:
Base-Base interactions energy: -196.352
where: short stacking energy: -79.069
Base-Backbone interact. energy: -1.138
local terms energy: -97.798157
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.941
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: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -290.965803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.965803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.965803 (E_RNA)
where:
Base-Base interactions energy: -185.868
where: short stacking energy: -97.583
Base-Backbone interact. energy: -0.114
local terms energy: -104.984498
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -298.905484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.905484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.905484 (E_RNA)
where:
Base-Base interactions energy: -208.616
where: short stacking energy: -91.490
Base-Backbone interact. energy: -1.471
local terms energy: -88.818010
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -15.944
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -249.422447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.422447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.422447 (E_RNA)
where:
Base-Base interactions energy: -154.627
where: short stacking energy: -73.276
Base-Backbone interact. energy: 0.304
local terms energy: -95.099532
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -211.776957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.776957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.776957 (E_RNA)
where:
Base-Base interactions energy: -134.399
where: short stacking energy: -58.424
Base-Backbone interact. energy: 0.040
local terms energy: -77.417291
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -12.464
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: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -230.033381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.033381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.033381 (E_RNA)
where:
Base-Base interactions energy: -137.689
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.352
local terms energy: -91.992260
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -107.528123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.528123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.528123 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.206
local terms energy: -69.340823
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -362.955682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.955682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.955682 (E_RNA)
where:
Base-Base interactions energy: -258.871
where: short stacking energy: -91.538
Base-Backbone interact. energy: -0.716
local terms energy: -103.369086
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -315.316999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.316999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.316999 (E_RNA)
where:
Base-Base interactions energy: -202.352
where: short stacking energy: -92.978
Base-Backbone interact. energy: -0.235
local terms energy: -112.729767
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -16.132
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: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -310.072375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.072375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.072375 (E_RNA)
where:
Base-Base interactions energy: -201.330
where: short stacking energy: -96.856
Base-Backbone interact. energy: 1.430
local terms energy: -110.172316
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -309.188546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.188546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.188546 (E_RNA)
where:
Base-Base interactions energy: -216.181
where: short stacking energy: -87.966
Base-Backbone interact. energy: -1.250
local terms energy: -91.757946
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -299.000203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.000203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.000203 (E_RNA)
where:
Base-Base interactions energy: -209.424
where: short stacking energy: -77.562
Base-Backbone interact. energy: -0.696
local terms energy: -88.881082
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -5.140
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: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -268.552191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.552191 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -85.655
Base-Backbone interact. energy: -0.107
local terms energy: -95.419847
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -12.314
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: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -254.305921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.305921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.305921 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.157
local terms energy: -95.823482
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -15.326
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -247.138721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.138721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.138721 (E_RNA)
where:
Base-Base interactions energy: -160.024
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.097
local terms energy: -87.017334
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -11.963
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: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -208.736002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.736002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.736002 (E_RNA)
where:
Base-Base interactions energy: -132.585
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.280
local terms energy: -75.871303
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -106.340626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.340626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.340626 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -19.305
Base-Backbone interact. energy: -0.477
local terms energy: -68.798959
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -361.348782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.348782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.348782 (E_RNA)
where:
Base-Base interactions energy: -257.569
where: short stacking energy: -88.182
Base-Backbone interact. energy: -0.332
local terms energy: -103.448298
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -325.016841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.016841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.016841 (E_RNA)
where:
Base-Base interactions energy: -212.136
where: short stacking energy: -91.536
Base-Backbone interact. energy: -1.381
local terms energy: -111.500155
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -312.428186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.428186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.428186 (E_RNA)
where:
Base-Base interactions energy: -210.482
where: short stacking energy: -97.416
Base-Backbone interact. energy: -0.071
local terms energy: -101.875341
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -16.446
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: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -309.889250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.889250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.889250 (E_RNA)
where:
Base-Base interactions energy: -214.199
where: short stacking energy: -97.179
Base-Backbone interact. energy: -0.838
local terms energy: -94.852217
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -22.699
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -297.283719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.283719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.283719 (E_RNA)
where:
Base-Base interactions energy: -193.129
where: short stacking energy: -82.217
Base-Backbone interact. energy: -0.704
local terms energy: -103.450007
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -279.846240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.846240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.846240 (E_RNA)
where:
Base-Base interactions energy: -182.863
where: short stacking energy: -79.621
Base-Backbone interact. energy: -0.325
local terms energy: -96.657800
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -246.880509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.880509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.880509 (E_RNA)
where:
Base-Base interactions energy: -159.702
where: short stacking energy: -76.723
Base-Backbone interact. energy: -2.149
local terms energy: -85.029944
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.449
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -214.111356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.111356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.111356 (E_RNA)
where:
Base-Base interactions energy: -129.182
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.105
local terms energy: -84.824651
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -209.106844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.106844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.106844 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.340
local terms energy: -81.057537
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -114.930079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.930079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.930079 (E_RNA)
where:
Base-Base interactions energy: -48.745
where: short stacking energy: -30.789
Base-Backbone interact. energy: -1.029
local terms energy: -65.155775
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -368.166416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.166416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.166416 (E_RNA)
where:
Base-Base interactions energy: -256.999
where: short stacking energy: -91.506
Base-Backbone interact. energy: 0.119
local terms energy: -111.286628
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -324.891313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.891313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.891313 (E_RNA)
where:
Base-Base interactions energy: -213.010
where: short stacking energy: -96.667
Base-Backbone interact. energy: -0.977
local terms energy: -110.904070
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -27.655
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -319.681519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.681519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.681519 (E_RNA)
where:
Base-Base interactions energy: -209.265
where: short stacking energy: -98.645
Base-Backbone interact. energy: -0.707
local terms energy: -109.709342
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -26.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -309.654068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.654068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.654068 (E_RNA)
where:
Base-Base interactions energy: -203.545
where: short stacking energy: -83.940
Base-Backbone interact. energy: -0.373
local terms energy: -105.735432
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -17.434
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: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -298.126283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.126283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.126283 (E_RNA)
where:
Base-Base interactions energy: -194.780
where: short stacking energy: -85.082
Base-Backbone interact. energy: -0.991
local terms energy: -102.355146
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -266.481878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.481878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.481878 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -91.143
Base-Backbone interact. energy: -0.222
local terms energy: -90.279715
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -238.372290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.372290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.372290 (E_RNA)
where:
Base-Base interactions energy: -150.634
where: short stacking energy: -59.918
Base-Backbone interact. energy: -1.511
local terms energy: -86.227953
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -240.452325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.452325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.452325 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.103
local terms energy: -97.389371
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -13.282
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -205.230990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.230990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.230990 (E_RNA)
where:
Base-Base interactions energy: -121.324
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.628
local terms energy: -83.279661
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -104.497455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.497455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.497455 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -31.012
Base-Backbone interact. energy: -1.628
local terms energy: -62.097289
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -368.036775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.036775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.036775 (E_RNA)
where:
Base-Base interactions energy: -256.434
where: short stacking energy: -98.884
Base-Backbone interact. energy: -0.426
local terms energy: -111.176632
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -325.337570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.337570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.337570 (E_RNA)
where:
Base-Base interactions energy: -216.902
where: short stacking energy: -105.436
Base-Backbone interact. energy: -0.229
local terms energy: -108.206713
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -30.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -295.719157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.719157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.719157 (E_RNA)
where:
Base-Base interactions energy: -183.856
where: short stacking energy: -92.616
Base-Backbone interact. energy: -0.037
local terms energy: -111.825725
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -310.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.889285 (E_RNA)
where:
Base-Base interactions energy: -208.160
where: short stacking energy: -95.970
Base-Backbone interact. energy: -0.682
local terms energy: -102.047689
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.604
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: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -269.811590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.811590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.811590 (E_RNA)
where:
Base-Base interactions energy: -190.525
where: short stacking energy: -87.965
Base-Backbone interact. energy: -1.759
local terms energy: -77.528228
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -9.838
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: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -267.863935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.863935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.863935 (E_RNA)
where:
Base-Base interactions energy: -184.835
where: short stacking energy: -85.953
Base-Backbone interact. energy: -0.011
local terms energy: -83.017522
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -238.797032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.797032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.797032 (E_RNA)
where:
Base-Base interactions energy: -160.627
where: short stacking energy: -62.317
Base-Backbone interact. energy: -0.252
local terms energy: -77.918100
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -9.738
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -246.164311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.164311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.164311 (E_RNA)
where:
Base-Base interactions energy: -156.536
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.827
local terms energy: -88.801122
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -16.992
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: 333
Temperature: 1.300000
Total energy: -200.670606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.670606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.670606 (E_RNA)
where:
Base-Base interactions energy: -118.341
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.494
local terms energy: -81.836137
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -116.121829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.121829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.121829 (E_RNA)
where:
Base-Base interactions energy: -53.368
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.145
local terms energy: -62.609463
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -335.342096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.342096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.342096 (E_RNA)
where:
Base-Base interactions energy: -220.626
where: short stacking energy: -105.727
Base-Backbone interact. energy: -0.516
local terms energy: -114.199858
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -18.615
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -356.075750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.075750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.075750 (E_RNA)
where:
Base-Base interactions energy: -252.405
where: short stacking energy: -84.973
Base-Backbone interact. energy: -0.571
local terms energy: -103.099742
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -24.705
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -297.944503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.944503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.944503 (E_RNA)
where:
Base-Base interactions energy: -195.968
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.980
local terms energy: -100.996953
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -18.401
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -308.415148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.415148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.415148 (E_RNA)
where:
Base-Base interactions energy: -188.538
where: short stacking energy: -102.058
Base-Backbone interact. energy: -0.123
local terms energy: -119.754018
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -32.414
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: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -278.164292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.164292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.164292 (E_RNA)
where:
Base-Base interactions energy: -179.704
where: short stacking energy: -89.634
Base-Backbone interact. energy: -0.152
local terms energy: -98.307770
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -268.566045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.566045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.566045 (E_RNA)
where:
Base-Base interactions energy: -164.383
where: short stacking energy: -81.643
Base-Backbone interact. energy: -0.312
local terms energy: -103.871215
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -20.235
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -260.936103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.936103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.936103 (E_RNA)
where:
Base-Base interactions energy: -164.852
where: short stacking energy: -77.652
Base-Backbone interact. energy: 0.899
local terms energy: -96.982572
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -231.536428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.536428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.536428 (E_RNA)
where:
Base-Base interactions energy: -150.731
where: short stacking energy: -61.425
Base-Backbone interact. energy: -1.244
local terms energy: -79.561073
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -224.003334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.003334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.003334 (E_RNA)
where:
Base-Base interactions energy: -138.385
where: short stacking energy: -64.634
Base-Backbone interact. energy: 0.676
local terms energy: -86.294292
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -118.626848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.626848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.626848 (E_RNA)
where:
Base-Base interactions energy: -55.247
where: short stacking energy: -36.376
Base-Backbone interact. energy: 0.002
local terms energy: -63.382421
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -329.859022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.859022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.859022 (E_RNA)
where:
Base-Base interactions energy: -229.332
where: short stacking energy: -92.594
Base-Backbone interact. energy: -0.727
local terms energy: -99.799901
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -26.570
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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -352.233967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.233967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.233967 (E_RNA)
where:
Base-Base interactions energy: -249.678
where: short stacking energy: -88.755
Base-Backbone interact. energy: -0.376
local terms energy: -102.180305
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -22.302
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: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -291.272375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.272375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.272375 (E_RNA)
where:
Base-Base interactions energy: -201.656
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.131
local terms energy: -89.484963
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -304.410197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.410197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.410197 (E_RNA)
where:
Base-Base interactions energy: -204.120
where: short stacking energy: -83.639
Base-Backbone interact. energy: -0.151
local terms energy: -100.138928
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -269.722035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.722035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.722035 (E_RNA)
where:
Base-Base interactions energy: -172.104
where: short stacking energy: -88.203
Base-Backbone interact. energy: -0.030
local terms energy: -97.588785
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -14.815
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: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -269.721054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.721054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.721054 (E_RNA)
where:
Base-Base interactions energy: -180.428
where: short stacking energy: -76.822
Base-Backbone interact. energy: -0.559
local terms energy: -88.734015
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -254.440318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.440318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.440318 (E_RNA)
where:
Base-Base interactions energy: -160.253
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.234
local terms energy: -93.952453
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -225.187343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.187343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.187343 (E_RNA)
where:
Base-Base interactions energy: -142.871
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.093
local terms energy: -82.223263
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -227.701842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.701842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.701842 (E_RNA)
where:
Base-Base interactions energy: -156.508
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.018
local terms energy: -71.175086
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -115.813291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.813291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.813291 (E_RNA)
where:
Base-Base interactions energy: -39.893
where: short stacking energy: -35.960
Base-Backbone interact. energy: -0.390
local terms energy: -75.530425
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: 1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -360.093109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.093109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.093109 (E_RNA)
where:
Base-Base interactions energy: -247.489
where: short stacking energy: -102.417
Base-Backbone interact. energy: -0.982
local terms energy: -111.621550
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -23.542
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: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -349.194320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.194320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.194320 (E_RNA)
where:
Base-Base interactions energy: -236.490
where: short stacking energy: -105.145
Base-Backbone interact. energy: 0.669
local terms energy: -113.372691
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -28.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -299.106550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.106550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.106550 (E_RNA)
where:
Base-Base interactions energy: -193.296
where: short stacking energy: -91.066
Base-Backbone interact. energy: -0.025
local terms energy: -105.786162
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -291.141829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.141829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.141829 (E_RNA)
where:
Base-Base interactions energy: -192.507
where: short stacking energy: -97.275
Base-Backbone interact. energy: -0.100
local terms energy: -98.534333
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -277.319193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.319193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.319193 (E_RNA)
where:
Base-Base interactions energy: -170.348
where: short stacking energy: -80.082
Base-Backbone interact. energy: -1.161
local terms energy: -105.809656
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -265.836829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.836829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.836829 (E_RNA)
where:
Base-Base interactions energy: -155.603
where: short stacking energy: -71.440
Base-Backbone interact. energy: -1.026
local terms energy: -109.207675
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -23.531
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -252.813800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.813800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.813800 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.531
local terms energy: -91.493923
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -227.638474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.638474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.638474 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.664
local terms energy: -77.031348
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -236.228954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.228954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.228954 (E_RNA)
where:
Base-Base interactions energy: -154.524
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.193
local terms energy: -81.511633
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -122.650724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.650724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.650724 (E_RNA)
where:
Base-Base interactions energy: -48.830
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.240
local terms energy: -73.580408
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -12.867
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: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -341.981261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.981261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.981261 (E_RNA)
where:
Base-Base interactions energy: -232.331
where: short stacking energy: -80.133
Base-Backbone interact. energy: -0.945
local terms energy: -108.705259
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -16.002
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: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -329.418649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.418649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.418649 (E_RNA)
where:
Base-Base interactions energy: -226.870
where: short stacking energy: -106.984
Base-Backbone interact. energy: -0.135
local terms energy: -102.414306
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -324.938794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.938794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.938794 (E_RNA)
where:
Base-Base interactions energy: -218.147
where: short stacking energy: -96.587
Base-Backbone interact. energy: -0.106
local terms energy: -106.685892
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -28.715
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: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -284.226215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.226215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.226215 (E_RNA)
where:
Base-Base interactions energy: -180.967
where: short stacking energy: -95.444
Base-Backbone interact. energy: -0.816
local terms energy: -102.443286
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -268.445377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.445377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.445377 (E_RNA)
where:
Base-Base interactions energy: -169.586
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.029
local terms energy: -98.830275
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -261.869776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.869776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.869776 (E_RNA)
where:
Base-Base interactions energy: -170.288
where: short stacking energy: -68.275
Base-Backbone interact. energy: 1.786
local terms energy: -93.367326
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -13.579
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: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -255.560225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.560225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.560225 (E_RNA)
where:
Base-Base interactions energy: -155.671
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.140
local terms energy: -99.748901
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -9.589
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -226.713935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.713935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.713935 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -69.507
Base-Backbone interact. energy: 0.334
local terms energy: -78.762271
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -226.836574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.836574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.836574 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.452
local terms energy: -87.198872
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -103.124098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.124098 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.499
local terms energy: -66.795258
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -354.360497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.360497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.360497 (E_RNA)
where:
Base-Base interactions energy: -244.514
where: short stacking energy: -104.121
Base-Backbone interact. energy: -0.376
local terms energy: -109.470962
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -326.468427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.468427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.468427 (E_RNA)
where:
Base-Base interactions energy: -218.320
where: short stacking energy: -99.568
Base-Backbone interact. energy: 0.897
local terms energy: -109.045558
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -329.438626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.438626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.438626 (E_RNA)
where:
Base-Base interactions energy: -218.543
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.627
local terms energy: -110.268368
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -294.152284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.152284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.152284 (E_RNA)
where:
Base-Base interactions energy: -195.788
where: short stacking energy: -87.841
Base-Backbone interact. energy: -1.100
local terms energy: -97.263372
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -18.057
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: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -273.903489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.903489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.903489 (E_RNA)
where:
Base-Base interactions energy: -180.000
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.610
local terms energy: -93.293872
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -270.904420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.904420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.904420 (E_RNA)
where:
Base-Base interactions energy: -181.374
where: short stacking energy: -87.533
Base-Backbone interact. energy: -0.467
local terms energy: -89.062645
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -254.085150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.085150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.085150 (E_RNA)
where:
Base-Base interactions energy: -159.588
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.250
local terms energy: -94.246971
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -12.580
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -225.124239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.124239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.124239 (E_RNA)
where:
Base-Base interactions energy: -139.355
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.878
local terms energy: -84.890866
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -14.433
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: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -249.314756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.314756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.314756 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.118
local terms energy: -94.605410
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -115.782772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.782772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.782772 (E_RNA)
where:
Base-Base interactions energy: -51.885
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.522
local terms energy: -63.375060
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -351.491768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.491768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.491768 (E_RNA)
where:
Base-Base interactions energy: -244.526
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.288
local terms energy: -106.678087
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -340.965434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.965434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.965434 (E_RNA)
where:
Base-Base interactions energy: -224.690
where: short stacking energy: -94.232
Base-Backbone interact. energy: 0.590
local terms energy: -116.866147
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -323.119587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.119587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.119587 (E_RNA)
where:
Base-Base interactions energy: -209.716
where: short stacking energy: -99.852
Base-Backbone interact. energy: -0.006
local terms energy: -113.397453
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -27.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -292.568472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.568472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.568472 (E_RNA)
where:
Base-Base interactions energy: -201.149
where: short stacking energy: -72.961
Base-Backbone interact. energy: -0.488
local terms energy: -90.931897
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -15.429
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: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -276.879123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.879123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.879123 (E_RNA)
where:
Base-Base interactions energy: -179.138
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.248
local terms energy: -97.493425
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -260.171769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.171769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.171769 (E_RNA)
where:
Base-Base interactions energy: -161.121
where: short stacking energy: -81.845
Base-Backbone interact. energy: -1.589
local terms energy: -97.461524
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -11.803
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: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -244.815006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.815006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.815006 (E_RNA)
where:
Base-Base interactions energy: -160.734
where: short stacking energy: -73.357
Base-Backbone interact. energy: -0.787
local terms energy: -83.294183
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -253.718322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.718322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.718322 (E_RNA)
where:
Base-Base interactions energy: -163.033
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.153
local terms energy: -90.531630
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -241.792400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.792400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.792400 (E_RNA)
where:
Base-Base interactions energy: -160.923
where: short stacking energy: -72.419
Base-Backbone interact. energy: -0.085
local terms energy: -80.783949
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -108.686632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.686632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.686632 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.956
local terms energy: -71.650067
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -350.202679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.202679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.202679 (E_RNA)
where:
Base-Base interactions energy: -244.827
where: short stacking energy: -94.212
Base-Backbone interact. energy: -0.567
local terms energy: -104.808875
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -22.975
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: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -353.891138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.891138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.891138 (E_RNA)
where:
Base-Base interactions energy: -242.599
where: short stacking energy: -105.113
Base-Backbone interact. energy: -0.611
local terms energy: -110.680467
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -32.473
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: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -320.268956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.268956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.268956 (E_RNA)
where:
Base-Base interactions energy: -214.416
where: short stacking energy: -90.712
Base-Backbone interact. energy: -0.131
local terms energy: -105.722042
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -24.269
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -295.521781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.521781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.521781 (E_RNA)
where:
Base-Base interactions energy: -198.222
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.539
local terms energy: -96.760668
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -15.143
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -266.078154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.078154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.078154 (E_RNA)
where:
Base-Base interactions energy: -174.600
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.828
local terms energy: -90.649997
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -16.224
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: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -265.235367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.235367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.235367 (E_RNA)
where:
Base-Base interactions energy: -173.287
where: short stacking energy: -79.337
Base-Backbone interact. energy: 1.146
local terms energy: -93.093931
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.292
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -240.331802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.331802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.331802 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.501
local terms energy: -85.082713
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -10.045
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: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -233.271241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.271241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.271241 (E_RNA)
where:
Base-Base interactions energy: -147.249
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.496
local terms energy: -85.525920
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -213.524422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.524422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.524422 (E_RNA)
where:
Base-Base interactions energy: -143.717
where: short stacking energy: -57.838
Base-Backbone interact. energy: -0.214
local terms energy: -69.594094
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -113.789310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.789310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.789310 (E_RNA)
where:
Base-Base interactions energy: -50.685
where: short stacking energy: -42.607
Base-Backbone interact. energy: -0.108
local terms energy: -62.996523
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -4.508
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: 341
Temperature: 0.900000
Total energy: -362.128190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.128190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.128190 (E_RNA)
where:
Base-Base interactions energy: -246.687
where: short stacking energy: -108.963
Base-Backbone interact. energy: -0.312
local terms energy: -115.129267
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -28.836
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: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -354.483499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.483499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.483499 (E_RNA)
where:
Base-Base interactions energy: -237.250
where: short stacking energy: -93.258
Base-Backbone interact. energy: -0.600
local terms energy: -116.634117
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -31.267
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: 341
Temperature: 1.000000
Total energy: -316.946851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.946851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.946851 (E_RNA)
where:
Base-Base interactions energy: -213.550
where: short stacking energy: -95.259
Base-Backbone interact. energy: -0.112
local terms energy: -103.285419
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -270.397517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.397517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.397517 (E_RNA)
where:
Base-Base interactions energy: -164.314
where: short stacking energy: -76.588
Base-Backbone interact. energy: -0.481
local terms energy: -105.601549
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -20.804
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -294.999152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.999152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.999152 (E_RNA)
where:
Base-Base interactions energy: -193.389
where: short stacking energy: -85.304
Base-Backbone interact. energy: -0.121
local terms energy: -101.489879
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -18.091
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: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -260.684717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.684717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.684717 (E_RNA)
where:
Base-Base interactions energy: -170.960
where: short stacking energy: -75.705
Base-Backbone interact. energy: -0.141
local terms energy: -89.583902
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -10.179
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -259.827708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.827708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.827708 (E_RNA)
where:
Base-Base interactions energy: -165.739
where: short stacking energy: -83.169
Base-Backbone interact. energy: -0.215
local terms energy: -93.873578
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -202.761054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.761054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.761054 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.512
local terms energy: -79.803538
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -250.541778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.541778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.541778 (E_RNA)
where:
Base-Base interactions energy: -150.783
where: short stacking energy: -67.468
Base-Backbone interact. energy: 0.227
local terms energy: -99.986230
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -130.749890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.749890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.749890 (E_RNA)
where:
Base-Base interactions energy: -66.599
where: short stacking energy: -32.457
Base-Backbone interact. energy: 1.002
local terms energy: -65.152878
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -338.753260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.753260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.753260 (E_RNA)
where:
Base-Base interactions energy: -224.531
where: short stacking energy: -100.731
Base-Backbone interact. energy: 0.161
local terms energy: -114.383079
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -33.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -353.200108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.200108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.200108 (E_RNA)
where:
Base-Base interactions energy: -236.391
where: short stacking energy: -101.327
Base-Backbone interact. energy: -0.113
local terms energy: -116.695529
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -316.269338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.269338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.269338 (E_RNA)
where:
Base-Base interactions energy: -207.385
where: short stacking energy: -91.231
Base-Backbone interact. energy: -0.941
local terms energy: -107.942492
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -274.954455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.954455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.954455 (E_RNA)
where:
Base-Base interactions energy: -165.179
where: short stacking energy: -75.947
Base-Backbone interact. energy: -0.127
local terms energy: -109.648136
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -281.740454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.740454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.740454 (E_RNA)
where:
Base-Base interactions energy: -175.102
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.197
local terms energy: -106.441887
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -22.907
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: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -266.571158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.571158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.571158 (E_RNA)
where:
Base-Base interactions energy: -170.089
where: short stacking energy: -80.870
Base-Backbone interact. energy: 0.918
local terms energy: -97.400570
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -18.556
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: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -224.318749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.318749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.318749 (E_RNA)
where:
Base-Base interactions energy: -135.161
where: short stacking energy: -51.630
Base-Backbone interact. energy: 0.428
local terms energy: -89.585532
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -238.900787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.900787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.900787 (E_RNA)
where:
Base-Base interactions energy: -165.653
where: short stacking energy: -61.395
Base-Backbone interact. energy: 1.963
local terms energy: -75.210766
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -217.720108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.720108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.720108 (E_RNA)
where:
Base-Base interactions energy: -154.718
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.125
local terms energy: -62.877089
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -101.801118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.801118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.801118 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -28.264
Base-Backbone interact. energy: -0.826
local terms energy: -69.722362
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -341.409598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.409598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.409598 (E_RNA)
where:
Base-Base interactions energy: -222.778
where: short stacking energy: -99.221
Base-Backbone interact. energy: -0.461
local terms energy: -118.170489
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -30.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -347.742277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.742277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.742277 (E_RNA)
where:
Base-Base interactions energy: -236.310
where: short stacking energy: -100.118
Base-Backbone interact. energy: -1.043
local terms energy: -110.389793
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -15.041
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: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -302.420701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.420701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.420701 (E_RNA)
where:
Base-Base interactions energy: -197.613
where: short stacking energy: -80.237
Base-Backbone interact. energy: -0.564
local terms energy: -104.243536
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -295.097503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.097503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.097503 (E_RNA)
where:
Base-Base interactions energy: -186.631
where: short stacking energy: -101.453
Base-Backbone interact. energy: -0.039
local terms energy: -108.427521
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -276.190221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.190221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.190221 (E_RNA)
where:
Base-Base interactions energy: -181.502
where: short stacking energy: -73.866
Base-Backbone interact. energy: -0.394
local terms energy: -94.294326
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -246.783748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.783748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.783748 (E_RNA)
where:
Base-Base interactions energy: -162.138
where: short stacking energy: -70.779
Base-Backbone interact. energy: 0.007
local terms energy: -84.652805
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -14.814
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: 343
Temperature: 1.200000
Total energy: -220.440551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.440551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.440551 (E_RNA)
where:
Base-Base interactions energy: -137.016
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.109
local terms energy: -83.315075
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -10.717
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: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -247.950732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.950732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.950732 (E_RNA)
where:
Base-Base interactions energy: -166.191
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.226
local terms energy: -81.534343
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -245.196303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.196303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.196303 (E_RNA)
where:
Base-Base interactions energy: -163.987
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.205
local terms energy: -81.003819
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -109.378776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.378776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.378776 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.309
local terms energy: -67.974926
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: 3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -342.277220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.277220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.277220 (E_RNA)
where:
Base-Base interactions energy: -220.684
where: short stacking energy: -99.945
Base-Backbone interact. energy: -0.406
local terms energy: -121.187320
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -32.051
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -338.054835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.054835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.054835 (E_RNA)
where:
Base-Base interactions energy: -232.605
where: short stacking energy: -89.860
Base-Backbone interact. energy: -0.875
local terms energy: -104.574695
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -23.997
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: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -303.982891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.982891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.982891 (E_RNA)
where:
Base-Base interactions energy: -191.775
where: short stacking energy: -90.875
Base-Backbone interact. energy: -0.483
local terms energy: -111.725034
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -314.410183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.410183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.410183 (E_RNA)
where:
Base-Base interactions energy: -212.651
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.084
local terms energy: -101.675044
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -266.034469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.034469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.034469 (E_RNA)
where:
Base-Base interactions energy: -170.345
where: short stacking energy: -64.351
Base-Backbone interact. energy: 0.525
local terms energy: -96.214109
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -15.744
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: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -252.872782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.872782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.872782 (E_RNA)
where:
Base-Base interactions energy: -166.048
where: short stacking energy: -64.769
Base-Backbone interact. energy: 0.799
local terms energy: -87.623617
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -245.788005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788005 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -65.890
Base-Backbone interact. energy: 0.882
local terms energy: -96.097593
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -207.067364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.067364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.067364 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -61.831
Base-Backbone interact. energy: -0.223
local terms energy: -81.645693
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -197.584226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.584226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.584226 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.081
local terms energy: -80.079488
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -7.090
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: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -108.036803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.036803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.036803 (E_RNA)
where:
Base-Base interactions energy: -45.644
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.211
local terms energy: -62.181821
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -5.731
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: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -341.853674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.853674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.853674 (E_RNA)
where:
Base-Base interactions energy: -236.035
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.681
local terms energy: -105.137962
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -28.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -359.762446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.762446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.762446 (E_RNA)
where:
Base-Base interactions energy: -242.679
where: short stacking energy: -91.428
Base-Backbone interact. energy: -0.201
local terms energy: -116.882113
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -27.870
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: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -294.629007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.629007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.629007 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -84.770
Base-Backbone interact. energy: -0.211
local terms energy: -100.594875
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -301.880705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.880705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.880705 (E_RNA)
where:
Base-Base interactions energy: -207.158
where: short stacking energy: -87.445
Base-Backbone interact. energy: 1.278
local terms energy: -96.000885
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -264.388373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.388373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.388373 (E_RNA)
where:
Base-Base interactions energy: -164.165
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.430
local terms energy: -99.793956
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -245.108166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.108166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.108166 (E_RNA)
where:
Base-Base interactions energy: -160.198
where: short stacking energy: -67.775
Base-Backbone interact. energy: 1.957
local terms energy: -86.866337
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -258.115073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.115073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.115073 (E_RNA)
where:
Base-Base interactions energy: -161.879
where: short stacking energy: -71.093
Base-Backbone interact. energy: -0.139
local terms energy: -96.097607
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -223.283547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.283547 (E_RNA)
where:
Base-Base interactions energy: -146.797
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.839
local terms energy: -75.647551
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -234.839754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.839754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.839754 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.276
local terms energy: -91.929994
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -107.633525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.633525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.633525 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -43.051
Base-Backbone interact. energy: 0.745
local terms energy: -59.520555
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -333.135304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.135304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.135304 (E_RNA)
where:
Base-Base interactions energy: -231.614
where: short stacking energy: -98.664
Base-Backbone interact. energy: -0.657
local terms energy: -100.864128
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -344.515534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.515534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.515534 (E_RNA)
where:
Base-Base interactions energy: -239.174
where: short stacking energy: -82.871
Base-Backbone interact. energy: -0.339
local terms energy: -105.002624
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -307.073623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.073623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.073623 (E_RNA)
where:
Base-Base interactions energy: -204.266
where: short stacking energy: -88.409
Base-Backbone interact. energy: -0.008
local terms energy: -102.799156
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -23.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -296.003144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.003144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.003144 (E_RNA)
where:
Base-Base interactions energy: -194.377
where: short stacking energy: -91.202
Base-Backbone interact. energy: -0.181
local terms energy: -101.444896
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -13.192
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: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -277.411148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.411148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.411148 (E_RNA)
where:
Base-Base interactions energy: -181.586
where: short stacking energy: -86.971
Base-Backbone interact. energy: -0.051
local terms energy: -95.774988
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -14.090
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: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -271.487557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.487557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.487557 (E_RNA)
where:
Base-Base interactions energy: -172.455
where: short stacking energy: -86.742
Base-Backbone interact. energy: -0.254
local terms energy: -98.778906
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -11.161
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -260.484049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484049 (E_RNA)
where:
Base-Base interactions energy: -161.743
where: short stacking energy: -82.363
Base-Backbone interact. energy: -0.150
local terms energy: -98.591557
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -20.578
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: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -232.845116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.845116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.845116 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -59.001
Base-Backbone interact. energy: -1.278
local terms energy: -82.278861
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -212.709632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.709632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.709632 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -65.473
Base-Backbone interact. energy: -1.300
local terms energy: -66.128224
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -8.059
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: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -109.349333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.349333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.349333 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -35.111
Base-Backbone interact. energy: 0.189
local terms energy: -67.001491
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -5.061
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -343.738571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.738571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.738571 (E_RNA)
where:
Base-Base interactions energy: -234.214
where: short stacking energy: -92.067
Base-Backbone interact. energy: -0.409
local terms energy: -109.115159
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -313.809521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.809521 (E_RNA)
where:
Base-Base interactions energy: -200.263
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.038
local terms energy: -113.508519
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -342.600011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.600011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.600011 (E_RNA)
where:
Base-Base interactions energy: -231.090
where: short stacking energy: -91.498
Base-Backbone interact. energy: -0.083
local terms energy: -111.426885
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -291.711758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.711758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.711758 (E_RNA)
where:
Base-Base interactions energy: -192.205
where: short stacking energy: -89.147
Base-Backbone interact. energy: -0.379
local terms energy: -99.128418
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -11.357
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: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -275.352059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.352059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.352059 (E_RNA)
where:
Base-Base interactions energy: -165.343
where: short stacking energy: -76.149
Base-Backbone interact. energy: 1.678
local terms energy: -111.686884
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -273.435496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.435496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.435496 (E_RNA)
where:
Base-Base interactions energy: -185.929
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.436
local terms energy: -87.069787
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -13.979
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: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -247.689746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.689746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.689746 (E_RNA)
where:
Base-Base interactions energy: -154.507
where: short stacking energy: -69.291
Base-Backbone interact. energy: 0.781
local terms energy: -93.964351
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -12.898
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: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -233.374581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374581 (E_RNA)
where:
Base-Base interactions energy: -148.474
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.184
local terms energy: -84.716095
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -15.194
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: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -198.441940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.441940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.441940 (E_RNA)
where:
Base-Base interactions energy: -127.390
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.426
local terms energy: -70.625793
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -12.097
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: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -110.579161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.579161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.579161 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.218
local terms energy: -70.146631
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -346.690391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.690391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.690391 (E_RNA)
where:
Base-Base interactions energy: -228.890
where: short stacking energy: -92.807
Base-Backbone interact. energy: -0.778
local terms energy: -117.022093
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -319.623113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.623113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.623113 (E_RNA)
where:
Base-Base interactions energy: -211.333
where: short stacking energy: -88.920
Base-Backbone interact. energy: -0.162
local terms energy: -108.127428
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -23.026
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: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -341.956359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.956359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.956359 (E_RNA)
where:
Base-Base interactions energy: -236.998
where: short stacking energy: -90.746
Base-Backbone interact. energy: -0.311
local terms energy: -104.647922
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -25.218
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: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -290.706288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.706288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.706288 (E_RNA)
where:
Base-Base interactions energy: -186.002
where: short stacking energy: -98.377
Base-Backbone interact. energy: -0.078
local terms energy: -104.626479
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -14.951
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: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -313.242492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.242492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.242492 (E_RNA)
where:
Base-Base interactions energy: -211.674
where: short stacking energy: -76.251
Base-Backbone interact. energy: -1.875
local terms energy: -99.692886
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -286.290216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.290216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.290216 (E_RNA)
where:
Base-Base interactions energy: -195.783
where: short stacking energy: -91.563
Base-Backbone interact. energy: -0.157
local terms energy: -90.350835
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -241.270503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.270503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.270503 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.127
local terms energy: -93.254292
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -15.721
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: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -213.068810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.068810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.068810 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.151
local terms energy: -87.537025
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -216.505362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.505362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.505362 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.028
local terms energy: -83.738393
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -10.479
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: 348
Temperature: 1.350000
Total energy: -108.125655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125655 (E_RNA)
where:
Base-Base interactions energy: -49.816
where: short stacking energy: -48.458
Base-Backbone interact. energy: 1.460
local terms energy: -59.769527
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -341.434889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.434889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.434889 (E_RNA)
where:
Base-Base interactions energy: -232.082
where: short stacking energy: -107.284
Base-Backbone interact. energy: -0.509
local terms energy: -108.844620
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -340.235736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.235736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.235736 (E_RNA)
where:
Base-Base interactions energy: -224.381
where: short stacking energy: -98.792
Base-Backbone interact. energy: -1.024
local terms energy: -114.830798
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -26.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -312.757169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.757169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.757169 (E_RNA)
where:
Base-Base interactions energy: -208.006
where: short stacking energy: -102.215
Base-Backbone interact. energy: -0.011
local terms energy: -104.740170
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -28.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -318.440906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.440906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.440906 (E_RNA)
where:
Base-Base interactions energy: -210.391
where: short stacking energy: -73.108
Base-Backbone interact. energy: -0.375
local terms energy: -107.674510
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -16.012
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: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -294.181613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.181613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.181613 (E_RNA)
where:
Base-Base interactions energy: -194.216
where: short stacking energy: -80.022
Base-Backbone interact. energy: 1.800
local terms energy: -101.765761
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -279.747213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.747213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.747213 (E_RNA)
where:
Base-Base interactions energy: -184.473
where: short stacking energy: -74.912
Base-Backbone interact. energy: -1.260
local terms energy: -94.014521
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -11.956
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: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -255.089392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.089392 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -75.656
Base-Backbone interact. energy: -0.049
local terms energy: -96.300751
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -210.567657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.567657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.567657 (E_RNA)
where:
Base-Base interactions energy: -125.869
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.272
local terms energy: -84.426246
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -10.436
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -203.223988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223988 (E_RNA)
where:
Base-Base interactions energy: -125.930
where: short stacking energy: -67.928
Base-Backbone interact. energy: 1.471
local terms energy: -78.765636
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -112.915729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.915729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.915729 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.354
local terms energy: -75.618555
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -348.814375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.814375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.814375 (E_RNA)
where:
Base-Base interactions energy: -250.603
where: short stacking energy: -97.285
Base-Backbone interact. energy: -0.234
local terms energy: -97.976802
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.584
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: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -337.306554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.306554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.306554 (E_RNA)
where:
Base-Base interactions energy: -221.290
where: short stacking energy: -106.152
Base-Backbone interact. energy: -0.398
local terms energy: -115.618254
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -29.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -315.641754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.641754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.641754 (E_RNA)
where:
Base-Base interactions energy: -215.053
where: short stacking energy: -86.252
Base-Backbone interact. energy: -0.743
local terms energy: -99.845588
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -24.836
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -295.209630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.209630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.209630 (E_RNA)
where:
Base-Base interactions energy: -196.583
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.211
local terms energy: -98.415119
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -16.528
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: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -277.161433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.161433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.161433 (E_RNA)
where:
Base-Base interactions energy: -173.189
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.096
local terms energy: -103.875984
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -268.074988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.074988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.074988 (E_RNA)
where:
Base-Base interactions energy: -174.480
where: short stacking energy: -72.247
Base-Backbone interact. energy: -0.233
local terms energy: -93.362294
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -15.619
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: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -258.777125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.777125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.777125 (E_RNA)
where:
Base-Base interactions energy: -162.874
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.093
local terms energy: -95.809997
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -254.069096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.069096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.069096 (E_RNA)
where:
Base-Base interactions energy: -169.830
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.478
local terms energy: -83.760643
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -238.853239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.853239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.853239 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -73.074
Base-Backbone interact. energy: -0.066
local terms energy: -88.616282
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -112.419130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.419130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.419130 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.361
local terms energy: -68.200430
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: 3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -349.057980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.057980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.057980 (E_RNA)
where:
Base-Base interactions energy: -238.460
where: short stacking energy: -90.252
Base-Backbone interact. energy: -1.513
local terms energy: -109.085137
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -335.950332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.950332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.950332 (E_RNA)
where:
Base-Base interactions energy: -218.282
where: short stacking energy: -91.664
Base-Backbone interact. energy: -1.461
local terms energy: -116.207303
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -315.200804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.200804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.200804 (E_RNA)
where:
Base-Base interactions energy: -213.987
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.142
local terms energy: -101.072240
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -303.976992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.976992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.976992 (E_RNA)
where:
Base-Base interactions energy: -208.232
where: short stacking energy: -89.017
Base-Backbone interact. energy: -0.743
local terms energy: -95.001952
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -280.282086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.282086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.282086 (E_RNA)
where:
Base-Base interactions energy: -177.793
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.005
local terms energy: -102.483807
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -280.018188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.018188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.018188 (E_RNA)
where:
Base-Base interactions energy: -191.403
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.310
local terms energy: -88.305310
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -13.268
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: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -253.437188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.437188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.437188 (E_RNA)
where:
Base-Base interactions energy: -163.971
where: short stacking energy: -77.340
Base-Backbone interact. energy: 1.923
local terms energy: -91.389095
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -13.466
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: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -229.939854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.939854 (E_RNA)
where:
Base-Base interactions energy: -147.091
where: short stacking energy: -65.827
Base-Backbone interact. energy: -1.527
local terms energy: -81.322275
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.897
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: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -202.825954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.825954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.825954 (E_RNA)
where:
Base-Base interactions energy: -121.141
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.018
local terms energy: -81.666598
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -118.120258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.120258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.120258 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -28.661
Base-Backbone interact. energy: -0.958
local terms energy: -77.886387
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -355.001666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.001666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.001666 (E_RNA)
where:
Base-Base interactions energy: -246.271
where: short stacking energy: -100.697
Base-Backbone interact. energy: -0.503
local terms energy: -108.227687
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -340.154524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.154524 (E_RNA)
where:
Base-Base interactions energy: -230.737
where: short stacking energy: -97.627
Base-Backbone interact. energy: -1.695
local terms energy: -107.722866
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -25.425
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: 352
Temperature: 1.000000
Total energy: -303.584605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.584605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.584605 (E_RNA)
where:
Base-Base interactions energy: -204.995
where: short stacking energy: -96.123
Base-Backbone interact. energy: 1.146
local terms energy: -99.735521
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -311.472069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.472069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.472069 (E_RNA)
where:
Base-Base interactions energy: -204.511
where: short stacking energy: -103.080
Base-Backbone interact. energy: -0.165
local terms energy: -106.796610
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -30.615
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: 352
Temperature: 1.100000
Total energy: -281.161067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.161067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.161067 (E_RNA)
where:
Base-Base interactions energy: -172.519
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.074
local terms energy: -108.568054
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -265.215649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.215649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.215649 (E_RNA)
where:
Base-Base interactions energy: -168.262
where: short stacking energy: -82.584
Base-Backbone interact. energy: 1.720
local terms energy: -98.674229
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -240.822485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.822485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.822485 (E_RNA)
where:
Base-Base interactions energy: -158.947
where: short stacking energy: -71.757
Base-Backbone interact. energy: 0.889
local terms energy: -82.764169
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -10.825
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: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -228.698036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.698036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.698036 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -73.888
Base-Backbone interact. energy: -0.139
local terms energy: -86.928822
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -209.772558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.772558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.772558 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.860
local terms energy: -75.954725
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -111.092814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.092814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.092814 (E_RNA)
where:
Base-Base interactions energy: -50.021
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.466
local terms energy: -60.605443
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: 7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -356.020770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.020770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.020770 (E_RNA)
where:
Base-Base interactions energy: -246.678
where: short stacking energy: -106.313
Base-Backbone interact. energy: -0.355
local terms energy: -108.987112
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -28.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -331.674423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.674423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.674423 (E_RNA)
where:
Base-Base interactions energy: -219.250
where: short stacking energy: -94.203
Base-Backbone interact. energy: -0.238
local terms energy: -112.185921
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -304.704193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.704193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.704193 (E_RNA)
where:
Base-Base interactions energy: -205.181
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.336
local terms energy: -99.187198
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -18.017
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: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -285.007011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.007011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.007011 (E_RNA)
where:
Base-Base interactions energy: -182.145
where: short stacking energy: -86.802
Base-Backbone interact. energy: -0.041
local terms energy: -102.821502
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -20.447
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: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -295.390724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.390724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.390724 (E_RNA)
where:
Base-Base interactions energy: -190.712
where: short stacking energy: -87.905
Base-Backbone interact. energy: -0.212
local terms energy: -104.466706
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -23.717
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: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -242.751191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.751191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.751191 (E_RNA)
where:
Base-Base interactions energy: -161.950
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.060
local terms energy: -80.741163
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -11.308
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -250.328416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.328416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.328416 (E_RNA)
where:
Base-Base interactions energy: -155.677
where: short stacking energy: -80.833
Base-Backbone interact. energy: -0.022
local terms energy: -94.629014
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -13.503
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: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -233.382866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.382866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.382866 (E_RNA)
where:
Base-Base interactions energy: -141.583
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.536
local terms energy: -91.264666
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -223.266140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.266140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.266140 (E_RNA)
where:
Base-Base interactions energy: -122.281
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.673
local terms energy: -100.312802
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -109.231141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.231141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.231141 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.330
local terms energy: -66.120711
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -355.205583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.205583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.205583 (E_RNA)
where:
Base-Base interactions energy: -238.354
where: short stacking energy: -106.138
Base-Backbone interact. energy: -0.227
local terms energy: -116.624671
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -19.308
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: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -330.414276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.414276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.414276 (E_RNA)
where:
Base-Base interactions energy: -218.910
where: short stacking energy: -94.288
Base-Backbone interact. energy: -0.256
local terms energy: -111.248055
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -18.313
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: 354
Temperature: 1.000000
Total energy: -312.015290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.015290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.015290 (E_RNA)
where:
Base-Base interactions energy: -209.853
where: short stacking energy: -92.081
Base-Backbone interact. energy: -1.363
local terms energy: -100.798884
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -294.187164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.187164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.187164 (E_RNA)
where:
Base-Base interactions energy: -175.109
where: short stacking energy: -93.075
Base-Backbone interact. energy: -0.010
local terms energy: -119.068186
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -278.194335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.194335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.194335 (E_RNA)
where:
Base-Base interactions energy: -178.104
where: short stacking energy: -81.443
Base-Backbone interact. energy: -0.275
local terms energy: -99.814493
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -241.386284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.386284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.386284 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -74.123
Base-Backbone interact. energy: -0.346
local terms energy: -88.246577
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -17.963
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -275.200477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.200477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.200477 (E_RNA)
where:
Base-Base interactions energy: -182.408
where: short stacking energy: -86.812
Base-Backbone interact. energy: -0.012
local terms energy: -92.780567
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -239.096317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.096317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.096317 (E_RNA)
where:
Base-Base interactions energy: -157.709
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.301
local terms energy: -81.086347
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -9.107
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: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -239.165553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.165553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.165553 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -66.865
Base-Backbone interact. energy: 0.695
local terms energy: -91.974973
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -105.297618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.297618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.297618 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.062
local terms energy: -64.658039
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -7.341
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: 355
Temperature: 0.900000
Total energy: -352.400177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.400177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.400177 (E_RNA)
where:
Base-Base interactions energy: -232.998
where: short stacking energy: -104.315
Base-Backbone interact. energy: -0.839
local terms energy: -118.563049
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -28.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -325.380731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.380731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.380731 (E_RNA)
where:
Base-Base interactions energy: -216.387
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.308
local terms energy: -108.685992
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -336.454933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.454933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.454933 (E_RNA)
where:
Base-Base interactions energy: -224.414
where: short stacking energy: -94.616
Base-Backbone interact. energy: 0.760
local terms energy: -112.801433
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -28.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -294.695394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.695394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.695394 (E_RNA)
where:
Base-Base interactions energy: -178.719
where: short stacking energy: -90.999
Base-Backbone interact. energy: -0.058
local terms energy: -115.918654
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -299.047040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.047040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.047040 (E_RNA)
where:
Base-Base interactions energy: -202.561
where: short stacking energy: -88.482
Base-Backbone interact. energy: -0.075
local terms energy: -96.410977
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -274.372511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.372511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.372511 (E_RNA)
where:
Base-Base interactions energy: -176.413
where: short stacking energy: -85.912
Base-Backbone interact. energy: -1.268
local terms energy: -96.691828
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -233.088416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.088416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.088416 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -69.422
Base-Backbone interact. energy: 1.519
local terms energy: -91.197412
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -12.137
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -246.550143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.550143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.550143 (E_RNA)
where:
Base-Base interactions energy: -157.891
where: short stacking energy: -75.815
Base-Backbone interact. energy: -0.058
local terms energy: -88.601813
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -10.102
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -197.807750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807750 (E_RNA)
where:
Base-Base interactions energy: -113.703
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.799
local terms energy: -83.306587
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -114.369052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.369052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.369052 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -27.484
Base-Backbone interact. energy: -0.147
local terms energy: -83.101051
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -14.280
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: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -351.811572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.811572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.811572 (E_RNA)
where:
Base-Base interactions energy: -230.844
where: short stacking energy: -114.581
Base-Backbone interact. energy: -0.215
local terms energy: -120.751939
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -327.256432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.256432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.256432 (E_RNA)
where:
Base-Base interactions energy: -226.106
where: short stacking energy: -98.465
Base-Backbone interact. energy: 0.649
local terms energy: -101.798915
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -31.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -285.548057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.548057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.548057 (E_RNA)
where:
Base-Base interactions energy: -169.802
where: short stacking energy: -93.356
Base-Backbone interact. energy: -0.154
local terms energy: -115.592469
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -21.677
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: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -308.907017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.907017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.907017 (E_RNA)
where:
Base-Base interactions energy: -211.928
where: short stacking energy: -90.179
Base-Backbone interact. energy: -1.070
local terms energy: -95.909196
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -285.436730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.436730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.436730 (E_RNA)
where:
Base-Base interactions energy: -178.557
where: short stacking energy: -93.798
Base-Backbone interact. energy: 0.128
local terms energy: -107.007235
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -281.292869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.292869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.292869 (E_RNA)
where:
Base-Base interactions energy: -191.899
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.514
local terms energy: -88.879808
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -21.193
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -218.762365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.762365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.762365 (E_RNA)
where:
Base-Base interactions energy: -139.782
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.362
local terms energy: -78.618215
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -13.021
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: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -251.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097357 (E_RNA)
where:
Base-Base interactions energy: -157.576
where: short stacking energy: -80.304
Base-Backbone interact. energy: 0.415
local terms energy: -93.935526
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -117.015896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.015896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.015896 (E_RNA)
where:
Base-Base interactions energy: -48.679
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.076
local terms energy: -68.260804
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -7.418
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: 356
Temperature: 1.350000
Total energy: -185.713347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.713347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.713347 (E_RNA)
where:
Base-Base interactions energy: -111.591
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.084
local terms energy: -74.039111
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -352.182221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.182221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.182221 (E_RNA)
where:
Base-Base interactions energy: -234.416
where: short stacking energy: -103.654
Base-Backbone interact. energy: 0.430
local terms energy: -118.196126
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -27.705
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -325.871506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.871506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.871506 (E_RNA)
where:
Base-Base interactions energy: -215.557
where: short stacking energy: -99.832
Base-Backbone interact. energy: -1.238
local terms energy: -109.076573
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -18.009
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: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -306.962898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.962898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.962898 (E_RNA)
where:
Base-Base interactions energy: -204.605
where: short stacking energy: -96.213
Base-Backbone interact. energy: -0.170
local terms energy: -102.187862
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -292.748486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.748486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.748486 (E_RNA)
where:
Base-Base interactions energy: -187.220
where: short stacking energy: -96.308
Base-Backbone interact. energy: -0.047
local terms energy: -105.481855
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -303.026928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.026928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.026928 (E_RNA)
where:
Base-Base interactions energy: -205.786
where: short stacking energy: -86.707
Base-Backbone interact. energy: 2.047
local terms energy: -99.287806
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -284.471305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.471305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.471305 (E_RNA)
where:
Base-Base interactions energy: -186.285
where: short stacking energy: -82.158
Base-Backbone interact. energy: -1.294
local terms energy: -96.892068
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -247.576595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.576595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.576595 (E_RNA)
where:
Base-Base interactions energy: -148.507
where: short stacking energy: -78.872
Base-Backbone interact. energy: -0.126
local terms energy: -98.943815
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -237.496165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.496165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.496165 (E_RNA)
where:
Base-Base interactions energy: -149.912
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.234
local terms energy: -87.350484
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -11.329
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: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -119.275707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.275707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.275707 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -40.077
Base-Backbone interact. energy: 0.290
local terms energy: -79.488607
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -191.004116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.004116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.004116 (E_RNA)
where:
Base-Base interactions energy: -104.902
where: short stacking energy: -48.117
Base-Backbone interact. energy: -0.331
local terms energy: -85.771132
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -12.279
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: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -350.464463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.464463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.464463 (E_RNA)
where:
Base-Base interactions energy: -239.327
where: short stacking energy: -115.304
Base-Backbone interact. energy: -0.934
local terms energy: -110.202881
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -338.000107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.000107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.000107 (E_RNA)
where:
Base-Base interactions energy: -228.480
where: short stacking energy: -102.956
Base-Backbone interact. energy: -0.803
local terms energy: -108.716460
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -31.252
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: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -305.499222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.499222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.499222 (E_RNA)
where:
Base-Base interactions energy: -203.459
where: short stacking energy: -104.282
Base-Backbone interact. energy: -0.083
local terms energy: -101.957785
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -24.266
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: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -297.274993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.274993 (E_RNA)
where:
Base-Base interactions energy: -186.834
where: short stacking energy: -84.540
Base-Backbone interact. energy: -0.015
local terms energy: -110.426025
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -22.351
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: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -294.924253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.924253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.924253 (E_RNA)
where:
Base-Base interactions energy: -195.407
where: short stacking energy: -82.930
Base-Backbone interact. energy: -0.305
local terms energy: -99.212012
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -27.394
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -14.902
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: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -286.096198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.096198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.096198 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -78.005
Base-Backbone interact. energy: -1.285
local terms energy: -88.899009
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -260.138160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.138160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.138160 (E_RNA)
where:
Base-Base interactions energy: -168.576
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.058
local terms energy: -91.504321
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -207.004614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.004614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.004614 (E_RNA)
where:
Base-Base interactions energy: -124.141
where: short stacking energy: -59.493
Base-Backbone interact. energy: -1.787
local terms energy: -81.076314
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -210.061571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.061571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.061571 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.194
local terms energy: -81.628411
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -3.409
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: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -107.275042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.275042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.275042 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -34.365
Base-Backbone interact. energy: 0.656
local terms energy: -71.750251
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: 5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -353.202352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.202352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.202352 (E_RNA)
where:
Base-Base interactions energy: -237.081
where: short stacking energy: -108.555
Base-Backbone interact. energy: -0.524
local terms energy: -115.597235
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -29.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -302.741776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.741776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.741776 (E_RNA)
where:
Base-Base interactions energy: -202.012
where: short stacking energy: -96.628
Base-Backbone interact. energy: -0.487
local terms energy: -100.242765
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -25.924
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -328.047980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.047980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.047980 (E_RNA)
where:
Base-Base interactions energy: -221.648
where: short stacking energy: -104.730
Base-Backbone interact. energy: 0.943
local terms energy: -107.343310
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -310.483371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.483371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.483371 (E_RNA)
where:
Base-Base interactions energy: -202.354
where: short stacking energy: -92.506
Base-Backbone interact. energy: -0.133
local terms energy: -107.995775
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -298.540186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.540186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.540186 (E_RNA)
where:
Base-Base interactions energy: -202.734
where: short stacking energy: -81.595
Base-Backbone interact. energy: -0.378
local terms energy: -95.427605
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -11.065
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: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -269.516697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.516697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.516697 (E_RNA)
where:
Base-Base interactions energy: -192.807
where: short stacking energy: -74.166
Base-Backbone interact. energy: 1.389
local terms energy: -78.098172
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -12.042
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: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -246.688911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.688911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.688911 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.639
local terms energy: -90.694358
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -216.906059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.906059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.906059 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.366
local terms energy: -85.356278
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -20.372
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: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -211.149445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.149445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.149445 (E_RNA)
where:
Base-Base interactions energy: -123.650
where: short stacking energy: -46.331
Base-Backbone interact. energy: -0.028
local terms energy: -87.470914
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -107.361593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.361593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.361593 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.111
local terms energy: -65.498986
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -324.019741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.019741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.019741 (E_RNA)
where:
Base-Base interactions energy: -217.352
where: short stacking energy: -89.253
Base-Backbone interact. energy: -0.355
local terms energy: -106.313040
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -21.216
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -300.082401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.082401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.082401 (E_RNA)
where:
Base-Base interactions energy: -199.194
where: short stacking energy: -94.659
Base-Backbone interact. energy: -0.198
local terms energy: -100.690233
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -323.045091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.045091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.045091 (E_RNA)
where:
Base-Base interactions energy: -212.305
where: short stacking energy: -88.127
Base-Backbone interact. energy: -0.198
local terms energy: -110.541709
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -292.712231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.712231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.712231 (E_RNA)
where:
Base-Base interactions energy: -190.568
where: short stacking energy: -77.495
Base-Backbone interact. energy: -1.388
local terms energy: -100.756806
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -283.708840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.708840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.708840 (E_RNA)
where:
Base-Base interactions energy: -181.959
where: short stacking energy: -84.470
Base-Backbone interact. energy: -0.053
local terms energy: -101.697418
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -254.801037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.801037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.801037 (E_RNA)
where:
Base-Base interactions energy: -162.406
where: short stacking energy: -68.233
Base-Backbone interact. energy: -1.322
local terms energy: -91.072863
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -15.854
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: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -245.443265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.443265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.443265 (E_RNA)
where:
Base-Base interactions energy: -153.543
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.355
local terms energy: -91.545617
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -13.159
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: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -224.232449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.232449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232449 (E_RNA)
where:
Base-Base interactions energy: -146.262
where: short stacking energy: -53.327
Base-Backbone interact. energy: -0.622
local terms energy: -77.348560
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -17.409
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: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -243.442766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.442766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.442766 (E_RNA)
where:
Base-Base interactions energy: -150.050
where: short stacking energy: -71.428
Base-Backbone interact. energy: -1.325
local terms energy: -92.067058
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -14.699
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: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -104.271005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.271005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.271005 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -26.893
Base-Backbone interact. energy: 2.094
local terms energy: -74.638162
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -337.663013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.663013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.663013 (E_RNA)
where:
Base-Base interactions energy: -226.398
where: short stacking energy: -103.609
Base-Backbone interact. energy: -0.150
local terms energy: -111.114913
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -19.083
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: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -327.044947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.044947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.044947 (E_RNA)
where:
Base-Base interactions energy: -213.771
where: short stacking energy: -92.140
Base-Backbone interact. energy: -0.341
local terms energy: -112.933423
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -293.689371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.689371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.689371 (E_RNA)
where:
Base-Base interactions energy: -183.088
where: short stacking energy: -85.161
Base-Backbone interact. energy: -0.208
local terms energy: -110.393383
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -16.593
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -278.414763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.414763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.414763 (E_RNA)
where:
Base-Base interactions energy: -175.541
where: short stacking energy: -88.518
Base-Backbone interact. energy: -0.022
local terms energy: -102.852388
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -280.168727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.168727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.168727 (E_RNA)
where:
Base-Base interactions energy: -184.147
where: short stacking energy: -68.480
Base-Backbone interact. energy: 0.059
local terms energy: -96.080134
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -18.605
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: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -262.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.968758 (E_RNA)
where:
Base-Base interactions energy: -166.161
where: short stacking energy: -78.317
Base-Backbone interact. energy: 0.166
local terms energy: -96.973486
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -253.232522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.232522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.232522 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -70.735
Base-Backbone interact. energy: 0.447
local terms energy: -90.404412
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -245.349984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.349984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.349984 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.395
local terms energy: -92.381157
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -13.532
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: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -199.177553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.177553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.177553 (E_RNA)
where:
Base-Base interactions energy: -120.858
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.284
local terms energy: -78.035960
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -118.275569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.275569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.275569 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.254
local terms energy: -69.217444
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -337.050956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.050956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.050956 (E_RNA)
where:
Base-Base interactions energy: -220.606
where: short stacking energy: -95.398
Base-Backbone interact. energy: -0.071
local terms energy: -116.373850
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -336.622356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.622356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.622356 (E_RNA)
where:
Base-Base interactions energy: -228.913
where: short stacking energy: -97.169
Base-Backbone interact. energy: 0.550
local terms energy: -108.259759
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -304.416408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.416408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.416408 (E_RNA)
where:
Base-Base interactions energy: -198.324
where: short stacking energy: -82.631
Base-Backbone interact. energy: -0.555
local terms energy: -105.537296
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -20.647
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: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -279.150808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.150808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.150808 (E_RNA)
where:
Base-Base interactions energy: -173.817
where: short stacking energy: -77.093
Base-Backbone interact. energy: -0.099
local terms energy: -105.234754
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -264.788178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.788178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.788178 (E_RNA)
where:
Base-Base interactions energy: -160.405
where: short stacking energy: -76.365
Base-Backbone interact. energy: -0.215
local terms energy: -104.167500
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -262.840264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.840264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.840264 (E_RNA)
where:
Base-Base interactions energy: -161.482
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.125
local terms energy: -101.233548
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -245.328890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.328890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.328890 (E_RNA)
where:
Base-Base interactions energy: -162.179
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.318
local terms energy: -82.832801
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -12.116
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: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -242.802781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.802781 (E_RNA)
where:
Base-Base interactions energy: -156.538
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.151
local terms energy: -86.114111
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -207.423138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.423138 (E_RNA)
where:
Base-Base interactions energy: -118.702
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.081
local terms energy: -88.640401
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -18.437
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: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -112.824252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.824252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.824252 (E_RNA)
where:
Base-Base interactions energy: -43.422
where: short stacking energy: -39.725
Base-Backbone interact. energy: 0.064
local terms energy: -69.465891
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -333.041332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.041332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.041332 (E_RNA)
where:
Base-Base interactions energy: -220.500
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.166
local terms energy: -112.375046
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -24.175
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: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -349.343804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.343804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.343804 (E_RNA)
where:
Base-Base interactions energy: -236.160
where: short stacking energy: -103.044
Base-Backbone interact. energy: -1.795
local terms energy: -111.388681
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -299.180119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.180119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.180119 (E_RNA)
where:
Base-Base interactions energy: -186.075
where: short stacking energy: -90.313
Base-Backbone interact. energy: -0.132
local terms energy: -112.973102
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -293.428087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.428087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.428087 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.127
local terms energy: -97.173567
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -18.173
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: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -270.430160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.430160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.430160 (E_RNA)
where:
Base-Base interactions energy: -175.613
where: short stacking energy: -95.299
Base-Backbone interact. energy: -0.128
local terms energy: -94.689936
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -12.443
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -247.986227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.986227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.986227 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.047
local terms energy: -96.471204
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -255.745535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.745535 (E_RNA)
where:
Base-Base interactions energy: -161.112
where: short stacking energy: -82.961
Base-Backbone interact. energy: -0.331
local terms energy: -94.302446
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -222.476711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.476711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.476711 (E_RNA)
where:
Base-Base interactions energy: -134.800
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.083
local terms energy: -87.593382
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -16.463
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: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -212.831133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.831133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.831133 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.063
local terms energy: -81.552263
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -107.375961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.375961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.375961 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -31.535
Base-Backbone interact. energy: 0.964
local terms energy: -70.004570
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -354.333075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.333075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.333075 (E_RNA)
where:
Base-Base interactions energy: -237.241
where: short stacking energy: -109.180
Base-Backbone interact. energy: -0.398
local terms energy: -116.694739
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -17.125
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: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -339.339035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.339035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.339035 (E_RNA)
where:
Base-Base interactions energy: -223.155
where: short stacking energy: -107.079
Base-Backbone interact. energy: -1.260
local terms energy: -114.923827
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -30.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -302.163046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.163046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.163046 (E_RNA)
where:
Base-Base interactions energy: -194.858
where: short stacking energy: -78.206
Base-Backbone interact. energy: -0.218
local terms energy: -107.086484
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -16.151
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: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -288.531110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.531110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.531110 (E_RNA)
where:
Base-Base interactions energy: -191.782
where: short stacking energy: -98.924
Base-Backbone interact. energy: -0.063
local terms energy: -96.685888
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -268.790462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.790462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.790462 (E_RNA)
where:
Base-Base interactions energy: -182.586
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.696
local terms energy: -85.507860
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -258.524150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.524150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.524150 (E_RNA)
where:
Base-Base interactions energy: -168.062
where: short stacking energy: -83.135
Base-Backbone interact. energy: 2.073
local terms energy: -92.534867
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -10.414
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: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -244.845955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.845955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.845955 (E_RNA)
where:
Base-Base interactions energy: -154.339
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.510
local terms energy: -89.997134
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -13.185
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: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -205.836353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.836353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.836353 (E_RNA)
where:
Base-Base interactions energy: -127.342
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.077
local terms energy: -78.416677
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -205.764831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.764831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.764831 (E_RNA)
where:
Base-Base interactions energy: -131.991
where: short stacking energy: -59.961
Base-Backbone interact. energy: 2.323
local terms energy: -76.096921
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -107.878256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.878256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.878256 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.308
local terms energy: -65.874236
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -356.977328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.977328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.977328 (E_RNA)
where:
Base-Base interactions energy: -242.113
where: short stacking energy: -111.077
Base-Backbone interact. energy: 0.307
local terms energy: -115.171845
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -28.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -341.741271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.741271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.741271 (E_RNA)
where:
Base-Base interactions energy: -231.804
where: short stacking energy: -95.108
Base-Backbone interact. energy: -1.061
local terms energy: -108.875628
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -295.141300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.141300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.141300 (E_RNA)
where:
Base-Base interactions energy: -196.303
where: short stacking energy: -83.153
Base-Backbone interact. energy: -0.255
local terms energy: -98.583853
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -17.953
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: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -295.780165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.780165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.780165 (E_RNA)
where:
Base-Base interactions energy: -190.348
where: short stacking energy: -90.514
Base-Backbone interact. energy: -0.221
local terms energy: -105.211074
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -255.028065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.028065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.028065 (E_RNA)
where:
Base-Base interactions energy: -169.217
where: short stacking energy: -88.915
Base-Backbone interact. energy: 0.203
local terms energy: -86.013680
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -14.873
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: 365
Temperature: 1.150000
Total energy: -262.735058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.735058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.735058 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -80.971
Base-Backbone interact. energy: -0.124
local terms energy: -97.536645
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -20.385
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: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -242.586266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.586266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.586266 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.195
local terms energy: -80.723826
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -237.089243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.089243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.089243 (E_RNA)
where:
Base-Base interactions energy: -157.408
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.243
local terms energy: -79.437797
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -204.577591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577591 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -45.773
Base-Backbone interact. energy: -0.885
local terms energy: -79.157085
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -113.723168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.723168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.723168 (E_RNA)
where:
Base-Base interactions energy: -35.714
where: short stacking energy: -35.714
Base-Backbone interact. energy: 0.657
local terms energy: -78.666500
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -4.372
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: 366
Temperature: 0.900000
Total energy: -360.938814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.938814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.938814 (E_RNA)
where:
Base-Base interactions energy: -252.111
where: short stacking energy: -111.897
Base-Backbone interact. energy: -0.196
local terms energy: -108.631664
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -25.709
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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -321.823117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.823117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.823117 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -90.080
Base-Backbone interact. energy: -0.594
local terms energy: -101.820506
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -20.334
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: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -301.590666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.590666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.590666 (E_RNA)
where:
Base-Base interactions energy: -193.124
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.701
local terms energy: -107.765537
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -17.843
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: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -282.763304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.763304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.763304 (E_RNA)
where:
Base-Base interactions energy: -183.500
where: short stacking energy: -86.561
Base-Backbone interact. energy: -0.080
local terms energy: -99.183481
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -21.173
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: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -269.849416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.849416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.849416 (E_RNA)
where:
Base-Base interactions energy: -165.584
where: short stacking energy: -77.583
Base-Backbone interact. energy: -0.217
local terms energy: -104.048883
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -253.335974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.335974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.335974 (E_RNA)
where:
Base-Base interactions energy: -161.858
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.225
local terms energy: -91.253431
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -12.777
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: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -249.611997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.611997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.611997 (E_RNA)
where:
Base-Base interactions energy: -160.138
where: short stacking energy: -69.405
Base-Backbone interact. energy: -1.710
local terms energy: -87.763952
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -254.310251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.310251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.310251 (E_RNA)
where:
Base-Base interactions energy: -162.624
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.149
local terms energy: -91.536925
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -221.901674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.901674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.901674 (E_RNA)
where:
Base-Base interactions energy: -141.665
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.286
local terms energy: -79.951175
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -15.184
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: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -111.980777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.980777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.980777 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -35.357
Base-Backbone interact. energy: 0.658
local terms energy: -77.858378
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -354.696270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.696270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.696270 (E_RNA)
where:
Base-Base interactions energy: -246.345
where: short stacking energy: -105.835
Base-Backbone interact. energy: 0.036
local terms energy: -108.387900
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -24.058
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -325.952781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.952781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.952781 (E_RNA)
where:
Base-Base interactions energy: -210.971
where: short stacking energy: -91.708
Base-Backbone interact. energy: -1.030
local terms energy: -113.952041
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -18.035
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -302.131548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.131548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.131548 (E_RNA)
where:
Base-Base interactions energy: -193.897
where: short stacking energy: -97.248
Base-Backbone interact. energy: -0.386
local terms energy: -107.849348
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -298.600060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.600060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.600060 (E_RNA)
where:
Base-Base interactions energy: -189.898
where: short stacking energy: -98.906
Base-Backbone interact. energy: -0.032
local terms energy: -108.670267
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -20.918
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: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -294.479632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.479632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.479632 (E_RNA)
where:
Base-Base interactions energy: -192.954
where: short stacking energy: -78.054
Base-Backbone interact. energy: -0.341
local terms energy: -101.184665
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -283.111924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.111924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.111924 (E_RNA)
where:
Base-Base interactions energy: -185.855
where: short stacking energy: -88.116
Base-Backbone interact. energy: 2.009
local terms energy: -99.265775
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -269.305300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.305300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.305300 (E_RNA)
where:
Base-Base interactions energy: -167.151
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.039
local terms energy: -102.115158
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -18.700
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: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -249.496721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.496721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.496721 (E_RNA)
where:
Base-Base interactions energy: -156.844
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.305
local terms energy: -92.348251
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -15.201
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: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -238.801259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.801259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.801259 (E_RNA)
where:
Base-Base interactions energy: -153.685
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.336
local terms energy: -84.779577
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -16.157
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: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -104.089794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.089794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.089794 (E_RNA)
where:
Base-Base interactions energy: -30.846
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.396
local terms energy: -72.847926
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -361.318131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.318131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.318131 (E_RNA)
where:
Base-Base interactions energy: -254.807
where: short stacking energy: -102.187
Base-Backbone interact. energy: -0.238
local terms energy: -106.272502
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -316.482655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.482655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.482655 (E_RNA)
where:
Base-Base interactions energy: -221.065
where: short stacking energy: -82.185
Base-Backbone interact. energy: -0.583
local terms energy: -94.834569
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -21.088
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: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -296.924996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.924996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.924996 (E_RNA)
where:
Base-Base interactions energy: -194.790
where: short stacking energy: -90.450
Base-Backbone interact. energy: -0.128
local terms energy: -102.006555
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -12.268
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: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -276.566965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.566965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.566965 (E_RNA)
where:
Base-Base interactions energy: -177.119
where: short stacking energy: -85.252
Base-Backbone interact. energy: -0.224
local terms energy: -99.223731
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -286.694934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.694934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.694934 (E_RNA)
where:
Base-Base interactions energy: -185.594
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.266
local terms energy: -100.834768
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -277.186641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.186641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.186641 (E_RNA)
where:
Base-Base interactions energy: -167.427
where: short stacking energy: -80.885
Base-Backbone interact. energy: -0.033
local terms energy: -109.726717
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -24.792
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: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -242.287723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.287723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.287723 (E_RNA)
where:
Base-Base interactions energy: -151.630
where: short stacking energy: -68.434
Base-Backbone interact. energy: 0.015
local terms energy: -90.672487
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -252.209300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.209300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.209300 (E_RNA)
where:
Base-Base interactions energy: -168.247
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.108
local terms energy: -83.854675
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -17.523
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: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -228.455203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.455203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.455203 (E_RNA)
where:
Base-Base interactions energy: -148.595
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.190
local terms energy: -79.669431
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -17.442
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -125.511903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.511903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.511903 (E_RNA)
where:
Base-Base interactions energy: -52.707
where: short stacking energy: -41.455
Base-Backbone interact. energy: -0.064
local terms energy: -72.740789
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -7.917
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: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -357.754878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.754878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.754878 (E_RNA)
where:
Base-Base interactions energy: -251.063
where: short stacking energy: -105.705
Base-Backbone interact. energy: -0.246
local terms energy: -106.445861
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -21.077
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -317.416872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.416872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.416872 (E_RNA)
where:
Base-Base interactions energy: -199.310
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.091
local terms energy: -118.015926
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -30.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -324.976221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.976221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.976221 (E_RNA)
where:
Base-Base interactions energy: -215.212
where: short stacking energy: -89.000
Base-Backbone interact. energy: 0.340
local terms energy: -110.103636
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -296.656548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.656548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.656548 (E_RNA)
where:
Base-Base interactions energy: -195.811
where: short stacking energy: -84.223
Base-Backbone interact. energy: -0.170
local terms energy: -100.674903
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -288.632567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.632567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.632567 (E_RNA)
where:
Base-Base interactions energy: -188.318
where: short stacking energy: -84.188
Base-Backbone interact. energy: 2.275
local terms energy: -102.589032
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -24.345
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -263.642668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.642668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.642668 (E_RNA)
where:
Base-Base interactions energy: -171.333
where: short stacking energy: -80.805
Base-Backbone interact. energy: 0.049
local terms energy: -92.358234
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -24.076
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -246.543527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.543527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.543527 (E_RNA)
where:
Base-Base interactions energy: -158.553
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.155
local terms energy: -87.835407
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -261.949285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.949285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.949285 (E_RNA)
where:
Base-Base interactions energy: -167.469
where: short stacking energy: -85.141
Base-Backbone interact. energy: -0.162
local terms energy: -94.317510
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -16.146
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: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -245.527815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.527815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.527815 (E_RNA)
where:
Base-Base interactions energy: -158.107
where: short stacking energy: -74.811
Base-Backbone interact. energy: 1.313
local terms energy: -88.733386
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -104.867213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.867213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.867213 (E_RNA)
where:
Base-Base interactions energy: -30.125
where: short stacking energy: -30.125
Base-Backbone interact. energy: -0.283
local terms energy: -74.459652
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -355.986514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.986514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.986514 (E_RNA)
where:
Base-Base interactions energy: -246.619
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.210
local terms energy: -109.157749
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -319.678527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.678527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.678527 (E_RNA)
where:
Base-Base interactions energy: -213.446
where: short stacking energy: -101.934
Base-Backbone interact. energy: -0.097
local terms energy: -106.136057
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -28.702
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: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -343.785583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.785583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.785583 (E_RNA)
where:
Base-Base interactions energy: -226.245
where: short stacking energy: -107.360
Base-Backbone interact. energy: -0.308
local terms energy: -117.232742
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -18.955
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: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -310.217665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.217665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.217665 (E_RNA)
where:
Base-Base interactions energy: -209.598
where: short stacking energy: -89.501
Base-Backbone interact. energy: -1.309
local terms energy: -99.311042
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -18.152
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: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -289.863763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.863763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.863763 (E_RNA)
where:
Base-Base interactions energy: -194.959
where: short stacking energy: -89.387
Base-Backbone interact. energy: -0.087
local terms energy: -94.817619
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -23.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -276.715068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.715068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.715068 (E_RNA)
where:
Base-Base interactions energy: -179.715
where: short stacking energy: -93.303
Base-Backbone interact. energy: -0.172
local terms energy: -96.827994
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -249.177935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.177935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.177935 (E_RNA)
where:
Base-Base interactions energy: -154.468
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.166
local terms energy: -94.543868
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -17.226
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: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -255.309428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.309428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.309428 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -76.365
Base-Backbone interact. energy: 1.391
local terms energy: -93.796161
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -236.380329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.380329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.380329 (E_RNA)
where:
Base-Base interactions energy: -147.717
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.425
local terms energy: -88.238980
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -113.331490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.331490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.331490 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -29.182
Base-Backbone interact. energy: 0.081
local terms energy: -72.788610
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: 0.777
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: 371
Temperature: 0.900000
Total energy: -353.437532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.437532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.437532 (E_RNA)
where:
Base-Base interactions energy: -244.927
where: short stacking energy: -103.652
Base-Backbone interact. energy: -0.656
local terms energy: -107.854942
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -351.523476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.523476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.523476 (E_RNA)
where:
Base-Base interactions energy: -235.093
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.497
local terms energy: -115.933286
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -28.251
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: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -311.974222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.974222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.974222 (E_RNA)
where:
Base-Base interactions energy: -193.603
where: short stacking energy: -95.860
Base-Backbone interact. energy: -0.130
local terms energy: -118.241150
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -17.206
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -266.477633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.477633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.477633 (E_RNA)
where:
Base-Base interactions energy: -165.875
where: short stacking energy: -74.553
Base-Backbone interact. energy: -0.068
local terms energy: -100.534678
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -20.232
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: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -299.566921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.566921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.566921 (E_RNA)
where:
Base-Base interactions energy: -200.954
where: short stacking energy: -95.241
Base-Backbone interact. energy: -0.365
local terms energy: -98.247517
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -26.633
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: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -256.574638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.574638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.574638 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -74.635
Base-Backbone interact. energy: -0.238
local terms energy: -91.636506
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -13.664
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: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -268.458109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.458109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.458109 (E_RNA)
where:
Base-Base interactions energy: -171.898
where: short stacking energy: -84.443
Base-Backbone interact. energy: -1.541
local terms energy: -95.019195
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -252.489444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.489444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.489444 (E_RNA)
where:
Base-Base interactions energy: -166.785
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.015
local terms energy: -85.690183
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -227.157160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.157160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.157160 (E_RNA)
where:
Base-Base interactions energy: -143.718
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.164
local terms energy: -83.274985
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -111.189780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189780 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.234
local terms energy: -68.425899
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: 2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -351.778110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.778110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.778110 (E_RNA)
where:
Base-Base interactions energy: -245.806
where: short stacking energy: -101.422
Base-Backbone interact. energy: -0.347
local terms energy: -105.625014
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -339.716966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.716966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.716966 (E_RNA)
where:
Base-Base interactions energy: -220.911
where: short stacking energy: -99.960
Base-Backbone interact. energy: 1.630
local terms energy: -120.436201
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -24.684
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: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -283.697579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.697579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.697579 (E_RNA)
where:
Base-Base interactions energy: -180.336
where: short stacking energy: -81.649
Base-Backbone interact. energy: -0.510
local terms energy: -102.850860
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -284.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.266447 (E_RNA)
where:
Base-Base interactions energy: -178.707
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.049
local terms energy: -105.510482
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -20.451
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -304.326981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.326981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.326981 (E_RNA)
where:
Base-Base interactions energy: -205.074
where: short stacking energy: -93.735
Base-Backbone interact. energy: -1.631
local terms energy: -97.622103
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -274.844050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.844050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.844050 (E_RNA)
where:
Base-Base interactions energy: -169.698
where: short stacking energy: -80.796
Base-Backbone interact. energy: -0.093
local terms energy: -105.052904
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -260.380450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.380450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.380450 (E_RNA)
where:
Base-Base interactions energy: -174.042
where: short stacking energy: -73.702
Base-Backbone interact. energy: -0.947
local terms energy: -85.391717
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -8.940
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: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -260.710278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.710278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.710278 (E_RNA)
where:
Base-Base interactions energy: -172.336
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.308
local terms energy: -88.065632
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -22.076
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: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -231.814449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814449 (E_RNA)
where:
Base-Base interactions energy: -151.590
where: short stacking energy: -75.536
Base-Backbone interact. energy: -0.175
local terms energy: -80.048867
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -13.416
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: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.875673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.875673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.875673 (E_RNA)
where:
Base-Base interactions energy: -20.592
where: short stacking energy: -20.093
Base-Backbone interact. energy: -0.346
local terms energy: -78.938007
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: 1.155
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: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -360.740521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.740521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.740521 (E_RNA)
where:
Base-Base interactions energy: -249.077
where: short stacking energy: -98.771
Base-Backbone interact. energy: -0.546
local terms energy: -111.116749
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -335.429230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.429230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.429230 (E_RNA)
where:
Base-Base interactions energy: -228.485
where: short stacking energy: -92.126
Base-Backbone interact. energy: -0.653
local terms energy: -106.290885
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -25.124
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: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -295.174627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.174627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.174627 (E_RNA)
where:
Base-Base interactions energy: -179.383
where: short stacking energy: -92.185
Base-Backbone interact. energy: -0.763
local terms energy: -115.028500
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -26.628
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: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -279.546318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.546318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.546318 (E_RNA)
where:
Base-Base interactions energy: -190.098
where: short stacking energy: -89.749
Base-Backbone interact. energy: 0.987
local terms energy: -90.434821
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -296.854952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.854952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.854952 (E_RNA)
where:
Base-Base interactions energy: -206.461
where: short stacking energy: -88.312
Base-Backbone interact. energy: -0.308
local terms energy: -90.085374
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.099
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: 373
Temperature: 1.150000
Total energy: -270.713076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.713076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.713076 (E_RNA)
where:
Base-Base interactions energy: -181.245
where: short stacking energy: -87.721
Base-Backbone interact. energy: -0.015
local terms energy: -89.453288
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -258.396362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.396362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.396362 (E_RNA)
where:
Base-Base interactions energy: -155.491
where: short stacking energy: -71.699
Base-Backbone interact. energy: 0.004
local terms energy: -102.909182
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -11.748
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: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -244.112332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.112332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.112332 (E_RNA)
where:
Base-Base interactions energy: -151.750
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.180
local terms energy: -92.182870
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -199.920768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.920768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.920768 (E_RNA)
where:
Base-Base interactions energy: -112.632
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.194
local terms energy: -87.095414
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -106.000089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.000089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.000089 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.408
local terms energy: -69.971219
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -359.021262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.021262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.021262 (E_RNA)
where:
Base-Base interactions energy: -251.934
where: short stacking energy: -104.784
Base-Backbone interact. energy: -0.982
local terms energy: -106.104854
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -28.034
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -342.739766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.739766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.739766 (E_RNA)
where:
Base-Base interactions energy: -229.274
where: short stacking energy: -102.834
Base-Backbone interact. energy: -1.231
local terms energy: -112.235157
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -26.680
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: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -292.987507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.987507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.987507 (E_RNA)
where:
Base-Base interactions energy: -182.716
where: short stacking energy: -95.030
Base-Backbone interact. energy: -0.017
local terms energy: -110.254542
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -285.347539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.347539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.347539 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.391
local terms energy: -104.343783
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -275.879255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.879255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.879255 (E_RNA)
where:
Base-Base interactions energy: -178.330
where: short stacking energy: -81.782
Base-Backbone interact. energy: -0.340
local terms energy: -97.208517
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -303.118528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.118528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.118528 (E_RNA)
where:
Base-Base interactions energy: -211.506
where: short stacking energy: -84.839
Base-Backbone interact. energy: -0.122
local terms energy: -91.490492
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.572
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -273.430568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.430568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.430568 (E_RNA)
where:
Base-Base interactions energy: -176.891
where: short stacking energy: -79.526
Base-Backbone interact. energy: 0.119
local terms energy: -96.658134
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -226.895132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.895132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.895132 (E_RNA)
where:
Base-Base interactions energy: -131.375
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.238
local terms energy: -95.281966
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -12.058
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: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -227.103231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.103231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.103231 (E_RNA)
where:
Base-Base interactions energy: -152.489
where: short stacking energy: -71.510
Base-Backbone interact. energy: -0.507
local terms energy: -74.106794
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -115.877375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.877375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.877375 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -37.835
Base-Backbone interact. energy: 0.047
local terms energy: -65.664886
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -363.165221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.165221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.165221 (E_RNA)
where:
Base-Base interactions energy: -257.724
where: short stacking energy: -102.905
Base-Backbone interact. energy: -0.890
local terms energy: -104.550735
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -23.949
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: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -337.366493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.366493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.366493 (E_RNA)
where:
Base-Base interactions energy: -222.062
where: short stacking energy: -104.473
Base-Backbone interact. energy: -0.230
local terms energy: -115.075028
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -317.306169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.306169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.306169 (E_RNA)
where:
Base-Base interactions energy: -200.941
where: short stacking energy: -107.020
Base-Backbone interact. energy: -0.075
local terms energy: -116.290688
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -31.608
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: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -258.761361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.761361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.761361 (E_RNA)
where:
Base-Base interactions energy: -159.220
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.573
local terms energy: -98.968750
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -265.493616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.493616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.493616 (E_RNA)
where:
Base-Base interactions energy: -167.939
where: short stacking energy: -88.929
Base-Backbone interact. energy: -0.140
local terms energy: -97.414648
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -258.023563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.023563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.023563 (E_RNA)
where:
Base-Base interactions energy: -170.327
where: short stacking energy: -80.278
Base-Backbone interact. energy: -0.102
local terms energy: -87.594681
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -254.537686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.537686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.537686 (E_RNA)
where:
Base-Base interactions energy: -175.624
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.299
local terms energy: -78.615292
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -14.261
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: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -237.000856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.000856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.000856 (E_RNA)
where:
Base-Base interactions energy: -150.590
where: short stacking energy: -76.086
Base-Backbone interact. energy: 1.747
local terms energy: -88.158481
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -15.800
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: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -191.056305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.056305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.056305 (E_RNA)
where:
Base-Base interactions energy: -104.598
where: short stacking energy: -49.906
Base-Backbone interact. energy: -0.272
local terms energy: -86.186334
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -16.443
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: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -119.119166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.119166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.119166 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.246
local terms energy: -86.956025
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -10.020
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: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -356.424251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.424251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.424251 (E_RNA)
where:
Base-Base interactions energy: -246.248
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.195
local terms energy: -109.980826
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -344.203442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.203442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.203442 (E_RNA)
where:
Base-Base interactions energy: -232.995
where: short stacking energy: -95.032
Base-Backbone interact. energy: -0.352
local terms energy: -110.856676
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -14.125
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -306.773130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.773130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.773130 (E_RNA)
where:
Base-Base interactions energy: -202.205
where: short stacking energy: -89.409
Base-Backbone interact. energy: -0.837
local terms energy: -103.730438
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -293.932055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.932055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.932055 (E_RNA)
where:
Base-Base interactions energy: -189.591
where: short stacking energy: -84.839
Base-Backbone interact. energy: -0.316
local terms energy: -104.025120
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -274.573072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.573072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.573072 (E_RNA)
where:
Base-Base interactions energy: -178.215
where: short stacking energy: -83.996
Base-Backbone interact. energy: -0.163
local terms energy: -96.194479
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -20.591
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: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -267.898036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.898036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.898036 (E_RNA)
where:
Base-Base interactions energy: -171.958
where: short stacking energy: -78.169
Base-Backbone interact. energy: 0.900
local terms energy: -96.840361
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -263.296089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.296089 (E_RNA)
where:
Base-Base interactions energy: -170.650
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.344
local terms energy: -92.302503
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -206.333371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.333371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.333371 (E_RNA)
where:
Base-Base interactions energy: -122.979
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.218
local terms energy: -83.136406
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -8.656
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: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -167.495751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.495751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.495751 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.325
local terms energy: -78.705924
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -156.166928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.166928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.166928 (E_RNA)
where:
Base-Base interactions energy: -84.845
where: short stacking energy: -39.514
Base-Backbone interact. energy: -0.490
local terms energy: -70.832236
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -349.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.067768 (E_RNA)
where:
Base-Base interactions energy: -239.774
where: short stacking energy: -93.927
Base-Backbone interact. energy: 0.151
local terms energy: -109.445418
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -23.620
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: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -343.932482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.932482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.932482 (E_RNA)
where:
Base-Base interactions energy: -227.255
where: short stacking energy: -97.590
Base-Backbone interact. energy: -0.773
local terms energy: -115.903752
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -29.141
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: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -309.733093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.733093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.733093 (E_RNA)
where:
Base-Base interactions energy: -203.904
where: short stacking energy: -83.544
Base-Backbone interact. energy: -0.317
local terms energy: -105.511844
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -22.840
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: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -292.732456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.732456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.732456 (E_RNA)
where:
Base-Base interactions energy: -194.384
where: short stacking energy: -82.770
Base-Backbone interact. energy: 0.612
local terms energy: -98.960715
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -247.834891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.834891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.834891 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -70.284
Base-Backbone interact. energy: 0.296
local terms energy: -97.816729
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -13.927
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: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -263.884130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.884130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.884130 (E_RNA)
where:
Base-Base interactions energy: -171.515
where: short stacking energy: -85.106
Base-Backbone interact. energy: -0.109
local terms energy: -92.260246
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -270.276672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.276672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.276672 (E_RNA)
where:
Base-Base interactions energy: -181.012
where: short stacking energy: -78.208
Base-Backbone interact. energy: -0.072
local terms energy: -89.193328
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -8.885
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -188.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.445330 (E_RNA)
where:
Base-Base interactions energy: -99.755
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.470
local terms energy: -88.220308
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -206.880380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.880380 (E_RNA)
where:
Base-Base interactions energy: -122.960
where: short stacking energy: -56.181
Base-Backbone interact. energy: 3.501
local terms energy: -87.421070
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -10.106
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: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -187.585878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.585878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.585878 (E_RNA)
where:
Base-Base interactions energy: -113.781
where: short stacking energy: -49.182
Base-Backbone interact. energy: 1.640
local terms energy: -75.444088
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -349.782369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.782369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.782369 (E_RNA)
where:
Base-Base interactions energy: -230.140
where: short stacking energy: -104.824
Base-Backbone interact. energy: -0.107
local terms energy: -119.535758
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -346.712673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.712673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.712673 (E_RNA)
where:
Base-Base interactions energy: -231.765
where: short stacking energy: -89.886
Base-Backbone interact. energy: -0.537
local terms energy: -114.410544
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -313.782690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.782690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.782690 (E_RNA)
where:
Base-Base interactions energy: -198.333
where: short stacking energy: -90.997
Base-Backbone interact. energy: -0.526
local terms energy: -114.923792
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -285.009127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.009127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.009127 (E_RNA)
where:
Base-Base interactions energy: -176.696
where: short stacking energy: -86.154
Base-Backbone interact. energy: -0.115
local terms energy: -108.198666
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -16.315
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: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -277.469059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.469059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.469059 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.424
local terms energy: -95.876944
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -233.795658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.795658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.795658 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -70.153
Base-Backbone interact. energy: -1.015
local terms energy: -84.796876
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -240.217882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.217882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.217882 (E_RNA)
where:
Base-Base interactions energy: -153.756
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.134
local terms energy: -86.328066
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -232.987650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.987650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.987650 (E_RNA)
where:
Base-Base interactions energy: -150.828
where: short stacking energy: -76.670
Base-Backbone interact. energy: -0.149
local terms energy: -82.010776
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -10.467
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: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -200.684753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.684753 (E_RNA)
where:
Base-Base interactions energy: -130.969
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.196
local terms energy: -69.520388
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -4.797
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: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -216.990967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.990967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.990967 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -58.912
Base-Backbone interact. energy: -0.557
local terms energy: -74.870802
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -346.822884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.822884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.822884 (E_RNA)
where:
Base-Base interactions energy: -234.190
where: short stacking energy: -101.081
Base-Backbone interact. energy: -0.182
local terms energy: -112.450271
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -15.270
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: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -347.514444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.514444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.514444 (E_RNA)
where:
Base-Base interactions energy: -238.579
where: short stacking energy: -85.140
Base-Backbone interact. energy: -1.147
local terms energy: -107.788788
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -15.457
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: 379
Temperature: 1.000000
Total energy: -335.897906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.897906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.897906 (E_RNA)
where:
Base-Base interactions energy: -229.092
where: short stacking energy: -108.633
Base-Backbone interact. energy: 1.589
local terms energy: -108.394635
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -296.721783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.721783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.721783 (E_RNA)
where:
Base-Base interactions energy: -198.992
where: short stacking energy: -88.801
Base-Backbone interact. energy: -0.069
local terms energy: -97.660580
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -16.438
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -285.349221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.349221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.349221 (E_RNA)
where:
Base-Base interactions energy: -182.255
where: short stacking energy: -79.299
Base-Backbone interact. energy: -0.335
local terms energy: -102.759309
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -262.789839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.789839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.789839 (E_RNA)
where:
Base-Base interactions energy: -164.571
where: short stacking energy: -72.171
Base-Backbone interact. energy: -0.730
local terms energy: -97.488548
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -228.212300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.212300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.212300 (E_RNA)
where:
Base-Base interactions energy: -131.089
where: short stacking energy: -73.755
Base-Backbone interact. energy: -0.584
local terms energy: -96.539908
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -216.051148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.051148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.051148 (E_RNA)
where:
Base-Base interactions energy: -131.137
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.355
local terms energy: -84.559065
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -220.035197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.035197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.035197 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.889
local terms energy: -75.888166
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -210.130568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.130568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.130568 (E_RNA)
where:
Base-Base interactions energy: -132.455
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.362
local terms energy: -77.314014
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -13.711
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -353.226004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.226004 (E_RNA)
where:
Base-Base interactions energy: -241.140
where: short stacking energy: -100.678
Base-Backbone interact. energy: -1.712
local terms energy: -110.374558
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -346.858071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.858071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.858071 (E_RNA)
where:
Base-Base interactions energy: -231.135
where: short stacking energy: -96.124
Base-Backbone interact. energy: 0.502
local terms energy: -116.225104
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -29.096
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: 380
Temperature: 1.000000
Total energy: -320.072736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.072736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.072736 (E_RNA)
where:
Base-Base interactions energy: -217.840
where: short stacking energy: -91.532
Base-Backbone interact. energy: -0.164
local terms energy: -102.068963
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -23.594
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -288.423314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.423314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.423314 (E_RNA)
where:
Base-Base interactions energy: -186.941
where: short stacking energy: -94.377
Base-Backbone interact. energy: -0.222
local terms energy: -101.260664
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -18.917
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: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -281.855020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.855020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.855020 (E_RNA)
where:
Base-Base interactions energy: -188.151
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.515
local terms energy: -93.188075
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -265.190534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.190534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.190534 (E_RNA)
where:
Base-Base interactions energy: -171.499
where: short stacking energy: -79.548
Base-Backbone interact. energy: -0.307
local terms energy: -93.383855
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -255.253705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.253705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.253705 (E_RNA)
where:
Base-Base interactions energy: -158.704
where: short stacking energy: -79.884
Base-Backbone interact. energy: 0.759
local terms energy: -97.308080
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -228.776506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.776506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.776506 (E_RNA)
where:
Base-Base interactions energy: -149.565
where: short stacking energy: -69.744
Base-Backbone interact. energy: 0.025
local terms energy: -79.236276
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -233.430198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.430198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.430198 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -59.388
Base-Backbone interact. energy: -1.516
local terms energy: -81.068691
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -223.488591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.488591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.488591 (E_RNA)
where:
Base-Base interactions energy: -150.750
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.154
local terms energy: -72.584286
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -11.261
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -360.910553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.910553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.910553 (E_RNA)
where:
Base-Base interactions energy: -252.896
where: short stacking energy: -98.843
Base-Backbone interact. energy: -1.777
local terms energy: -106.237622
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -353.433997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.433997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.433997 (E_RNA)
where:
Base-Base interactions energy: -235.370
where: short stacking energy: -103.358
Base-Backbone interact. energy: -0.273
local terms energy: -117.790440
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -20.007
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: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -338.075974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.075974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.075974 (E_RNA)
where:
Base-Base interactions energy: -224.347
where: short stacking energy: -98.696
Base-Backbone interact. energy: 0.008
local terms energy: -113.736762
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -27.919
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: 381
Temperature: 1.050000
Total energy: -286.652249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.652249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.652249 (E_RNA)
where:
Base-Base interactions energy: -188.053
where: short stacking energy: -84.351
Base-Backbone interact. energy: -0.233
local terms energy: -98.366054
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -12.521
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: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -289.499371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.499371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.499371 (E_RNA)
where:
Base-Base interactions energy: -195.987
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.567
local terms energy: -92.946147
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -18.270
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: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -274.360674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.360674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.360674 (E_RNA)
where:
Base-Base interactions energy: -170.673
where: short stacking energy: -79.435
Base-Backbone interact. energy: -0.126
local terms energy: -103.562075
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -23.495
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: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -256.165306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.165306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.165306 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.995
local terms energy: -97.389774
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -213.666725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666725 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.217
local terms energy: -77.132900
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -201.820360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820360 (E_RNA)
where:
Base-Base interactions energy: -122.880
where: short stacking energy: -46.802
Base-Backbone interact. energy: -0.123
local terms energy: -78.817314
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -214.326851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326851 (E_RNA)
where:
Base-Base interactions energy: -140.222
where: short stacking energy: -63.277
Base-Backbone interact. energy: 0.664
local terms energy: -74.768549
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -361.409504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.409504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.409504 (E_RNA)
where:
Base-Base interactions energy: -249.663
where: short stacking energy: -101.504
Base-Backbone interact. energy: -1.647
local terms energy: -110.099399
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -341.656007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.656007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.656007 (E_RNA)
where:
Base-Base interactions energy: -229.457
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.159
local terms energy: -112.040183
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -341.892487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.892487 (E_RNA)
where:
Base-Base interactions energy: -230.488
where: short stacking energy: -99.157
Base-Backbone interact. energy: -0.397
local terms energy: -111.006516
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -26.359
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: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -301.213079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.213079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.213079 (E_RNA)
where:
Base-Base interactions energy: -200.092
where: short stacking energy: -85.838
Base-Backbone interact. energy: -0.625
local terms energy: -100.496656
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -18.189
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: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -277.715552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.715552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.715552 (E_RNA)
where:
Base-Base interactions energy: -176.768
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.853
local terms energy: -100.094778
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -267.495345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.495345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.495345 (E_RNA)
where:
Base-Base interactions energy: -186.095
where: short stacking energy: -69.477
Base-Backbone interact. energy: -0.201
local terms energy: -81.199181
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -1.714
tors. eta vs tors. theta energy: -16.701
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -222.609492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609492 (E_RNA)
where:
Base-Base interactions energy: -143.864
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.652
local terms energy: -78.093080
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -20.048
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: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -230.185272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.185272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.185272 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.036
local terms energy: -81.138287
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -272.227814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.227814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.227814 (E_RNA)
where:
Base-Base interactions energy: -175.011
where: short stacking energy: -82.843
Base-Backbone interact. energy: -0.113
local terms energy: -97.103983
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -200.219195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.219195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.219195 (E_RNA)
where:
Base-Base interactions energy: -130.471
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.001
local terms energy: -69.746657
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -369.164278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.164278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.164278 (E_RNA)
where:
Base-Base interactions energy: -256.517
where: short stacking energy: -105.930
Base-Backbone interact. energy: -0.141
local terms energy: -112.506510
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -335.533667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.533667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.533667 (E_RNA)
where:
Base-Base interactions energy: -226.410
where: short stacking energy: -92.228
Base-Backbone interact. energy: -0.474
local terms energy: -108.649386
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -318.212021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.212021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.212021 (E_RNA)
where:
Base-Base interactions energy: -220.444
where: short stacking energy: -88.665
Base-Backbone interact. energy: 0.103
local terms energy: -97.870497
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -285.172950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.172950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.172950 (E_RNA)
where:
Base-Base interactions energy: -186.229
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.201
local terms energy: -98.742178
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -263.435224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.435224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.435224 (E_RNA)
where:
Base-Base interactions energy: -160.042
where: short stacking energy: -79.465
Base-Backbone interact. energy: -0.352
local terms energy: -103.041055
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -262.624429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.624429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.624429 (E_RNA)
where:
Base-Base interactions energy: -162.928
where: short stacking energy: -78.467
Base-Backbone interact. energy: -0.144
local terms energy: -99.553015
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -18.700
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: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -258.645170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.645170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.645170 (E_RNA)
where:
Base-Base interactions energy: -166.428
where: short stacking energy: -62.237
Base-Backbone interact. energy: 1.279
local terms energy: -93.496330
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -212.642860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.642860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.642860 (E_RNA)
where:
Base-Base interactions energy: -131.542
where: short stacking energy: -61.352
Base-Backbone interact. energy: 0.250
local terms energy: -81.350390
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -14.987
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: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -237.535872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.535872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.535872 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -62.117
Base-Backbone interact. energy: 0.188
local terms energy: -90.120958
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -13.262
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: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -216.037555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.037555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.037555 (E_RNA)
where:
Base-Base interactions energy: -149.128
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.213
local terms energy: -66.696498
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.824
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: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -363.178390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.178390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.178390 (E_RNA)
where:
Base-Base interactions energy: -259.148
where: short stacking energy: -86.357
Base-Backbone interact. energy: -1.505
local terms energy: -102.524696
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -349.809509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.809509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.809509 (E_RNA)
where:
Base-Base interactions energy: -240.367
where: short stacking energy: -102.763
Base-Backbone interact. energy: -0.592
local terms energy: -108.850014
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -29.659
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -318.562477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.562477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.562477 (E_RNA)
where:
Base-Base interactions energy: -204.564
where: short stacking energy: -88.921
Base-Backbone interact. energy: -0.562
local terms energy: -113.436184
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -22.551
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: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -289.773716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.773716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.773716 (E_RNA)
where:
Base-Base interactions energy: -188.014
where: short stacking energy: -76.564
Base-Backbone interact. energy: -0.425
local terms energy: -101.335412
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -15.276
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: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -269.082013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.082013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.082013 (E_RNA)
where:
Base-Base interactions energy: -166.088
where: short stacking energy: -83.241
Base-Backbone interact. energy: -0.061
local terms energy: -102.933086
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -24.683
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: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -262.068715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.068715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.068715 (E_RNA)
where:
Base-Base interactions energy: -167.361
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.590
local terms energy: -94.118302
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -276.327588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.327588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.327588 (E_RNA)
where:
Base-Base interactions energy: -188.502
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.289
local terms energy: -87.536835
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -14.195
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: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -229.955622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.955622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.955622 (E_RNA)
where:
Base-Base interactions energy: -143.891
where: short stacking energy: -61.899
Base-Backbone interact. energy: 0.108
local terms energy: -86.173112
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -5.458
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: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -208.545881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545881 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.163
local terms energy: -92.721553
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -13.430
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: 384
Temperature: 1.350000
Total energy: -190.551439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551439 (E_RNA)
where:
Base-Base interactions energy: -109.824
where: short stacking energy: -54.057
Base-Backbone interact. energy: 2.320
local terms energy: -83.047296
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -362.050116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.050116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.050116 (E_RNA)
where:
Base-Base interactions energy: -247.886
where: short stacking energy: -99.428
Base-Backbone interact. energy: -0.839
local terms energy: -113.324932
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -338.516302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.516302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.516302 (E_RNA)
where:
Base-Base interactions energy: -226.323
where: short stacking energy: -93.464
Base-Backbone interact. energy: -0.305
local terms energy: -111.889086
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -29.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -308.012984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.012984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.012984 (E_RNA)
where:
Base-Base interactions energy: -209.651
where: short stacking energy: -90.999
Base-Backbone interact. energy: -0.642
local terms energy: -97.719741
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -280.969766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.969766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.969766 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -82.215
Base-Backbone interact. energy: -0.437
local terms energy: -98.425099
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -14.037
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: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -311.866129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.866129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.866129 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -89.965
Base-Backbone interact. energy: -1.840
local terms energy: -114.300662
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -28.934
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: 385
Temperature: 1.150000
Total energy: -264.853721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.853721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.853721 (E_RNA)
where:
Base-Base interactions energy: -175.917
where: short stacking energy: -84.671
Base-Backbone interact. energy: -0.226
local terms energy: -88.710804
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -258.662404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.662404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.662404 (E_RNA)
where:
Base-Base interactions energy: -177.841
where: short stacking energy: -75.632
Base-Backbone interact. energy: -1.343
local terms energy: -79.478503
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -242.332990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.332990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.332990 (E_RNA)
where:
Base-Base interactions energy: -158.591
where: short stacking energy: -66.627
Base-Backbone interact. energy: 0.797
local terms energy: -84.539696
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -238.488414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.488414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.488414 (E_RNA)
where:
Base-Base interactions energy: -149.601
where: short stacking energy: -71.971
Base-Backbone interact. energy: 0.756
local terms energy: -89.643726
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -213.339935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.339935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.339935 (E_RNA)
where:
Base-Base interactions energy: -140.977
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.314
local terms energy: -72.048176
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -7.033
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: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -368.737747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.737747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.737747 (E_RNA)
where:
Base-Base interactions energy: -260.496
where: short stacking energy: -92.590
Base-Backbone interact. energy: -2.532
local terms energy: -105.709036
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -350.170734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.170734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.170734 (E_RNA)
where:
Base-Base interactions energy: -241.036
where: short stacking energy: -108.015
Base-Backbone interact. energy: 1.148
local terms energy: -110.283101
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -24.350
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -319.202943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.202943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.202943 (E_RNA)
where:
Base-Base interactions energy: -218.816
where: short stacking energy: -90.462
Base-Backbone interact. energy: 1.408
local terms energy: -101.795009
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -25.771
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: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -287.061113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.061113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.061113 (E_RNA)
where:
Base-Base interactions energy: -183.705
where: short stacking energy: -83.972
Base-Backbone interact. energy: -0.011
local terms energy: -103.345244
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -13.155
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: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -305.956906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.956906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.956906 (E_RNA)
where:
Base-Base interactions energy: -197.880
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.491
local terms energy: -107.585671
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -25.449
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: 386
Temperature: 1.150000
Total energy: -264.329077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.329077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.329077 (E_RNA)
where:
Base-Base interactions energy: -170.861
where: short stacking energy: -76.813
Base-Backbone interact. energy: -0.055
local terms energy: -93.413320
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -16.293
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: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -252.849808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.849808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.849808 (E_RNA)
where:
Base-Base interactions energy: -167.522
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.607
local terms energy: -84.720329
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -239.535847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.535847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.535847 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -68.725
Base-Backbone interact. energy: -0.214
local terms energy: -94.400833
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -10.083
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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -242.170942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170942 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -67.596
Base-Backbone interact. energy: 0.185
local terms energy: -92.984936
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -237.274627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.274627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.274627 (E_RNA)
where:
Base-Base interactions energy: -146.390
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.977
local terms energy: -89.908052
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -366.583713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.583713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.583713 (E_RNA)
where:
Base-Base interactions energy: -252.095
where: short stacking energy: -96.189
Base-Backbone interact. energy: -2.693
local terms energy: -111.795264
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -18.102
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: 387
Temperature: 0.950000
Total energy: -344.699650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.699650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.699650 (E_RNA)
where:
Base-Base interactions energy: -228.447
where: short stacking energy: -98.410
Base-Backbone interact. energy: 0.133
local terms energy: -116.384956
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -318.147487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.147487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.147487 (E_RNA)
where:
Base-Base interactions energy: -212.299
where: short stacking energy: -95.185
Base-Backbone interact. energy: 0.302
local terms energy: -106.150427
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -304.643371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.643371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.643371 (E_RNA)
where:
Base-Base interactions energy: -198.473
where: short stacking energy: -87.474
Base-Backbone interact. energy: -0.066
local terms energy: -106.105022
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -280.174302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.174302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.174302 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -91.204
Base-Backbone interact. energy: -0.116
local terms energy: -95.605564
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -24.609
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: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -259.179534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.179534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.179534 (E_RNA)
where:
Base-Base interactions energy: -182.082
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.205
local terms energy: -76.892261
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -268.642570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.642570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.642570 (E_RNA)
where:
Base-Base interactions energy: -171.008
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.408
local terms energy: -97.227166
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -13.185
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -244.001167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.001167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.001167 (E_RNA)
where:
Base-Base interactions energy: -163.850
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.050
local terms energy: -80.101537
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -9.906
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: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -212.208175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.208175 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -69.629
Base-Backbone interact. energy: 0.723
local terms energy: -77.565026
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -10.608
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: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -227.328163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.328163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.328163 (E_RNA)
where:
Base-Base interactions energy: -140.074
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.333
local terms energy: -86.921165
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -367.828544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.828544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.828544 (E_RNA)
where:
Base-Base interactions energy: -252.705
where: short stacking energy: -93.355
Base-Backbone interact. energy: -2.317
local terms energy: -112.806564
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -22.926
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: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -338.422629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.422629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.422629 (E_RNA)
where:
Base-Base interactions energy: -231.200
where: short stacking energy: -98.022
Base-Backbone interact. energy: -0.404
local terms energy: -106.818652
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -17.492
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -306.063240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.063240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.063240 (E_RNA)
where:
Base-Base interactions energy: -211.000
where: short stacking energy: -96.373
Base-Backbone interact. energy: 0.469
local terms energy: -95.531784
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -285.486962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.486962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.486962 (E_RNA)
where:
Base-Base interactions energy: -194.741
where: short stacking energy: -81.197
Base-Backbone interact. energy: -1.076
local terms energy: -89.669888
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -21.650
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: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -277.300965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.300965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.300965 (E_RNA)
where:
Base-Base interactions energy: -177.814
where: short stacking energy: -78.743
Base-Backbone interact. energy: 3.078
local terms energy: -102.565551
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -269.090225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.090225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.090225 (E_RNA)
where:
Base-Base interactions energy: -175.152
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.044
local terms energy: -93.894430
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -258.921066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.921066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.921066 (E_RNA)
where:
Base-Base interactions energy: -171.649
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.200
local terms energy: -87.071524
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -241.873897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.873897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.873897 (E_RNA)
where:
Base-Base interactions energy: -145.118
where: short stacking energy: -64.257
Base-Backbone interact. energy: -1.284
local terms energy: -95.471810
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -16.701
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -237.330573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.330573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.330573 (E_RNA)
where:
Base-Base interactions energy: -146.082
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.546
local terms energy: -90.702383
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -14.737
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: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -198.415929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415929 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.635
local terms energy: -72.002871
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -350.936236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.936236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.936236 (E_RNA)
where:
Base-Base interactions energy: -234.715
where: short stacking energy: -99.285
Base-Backbone interact. energy: -0.284
local terms energy: -115.937028
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -28.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -347.128006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.128006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.128006 (E_RNA)
where:
Base-Base interactions energy: -237.743
where: short stacking energy: -96.938
Base-Backbone interact. energy: -0.442
local terms energy: -108.942150
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -325.589908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.589908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.589908 (E_RNA)
where:
Base-Base interactions energy: -211.527
where: short stacking energy: -86.652
Base-Backbone interact. energy: -0.578
local terms energy: -113.484664
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -290.748449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.748449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.748449 (E_RNA)
where:
Base-Base interactions energy: -190.020
where: short stacking energy: -91.316
Base-Backbone interact. energy: 0.667
local terms energy: -101.394924
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -23.170
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -281.212460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.212460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.212460 (E_RNA)
where:
Base-Base interactions energy: -177.870
where: short stacking energy: -79.786
Base-Backbone interact. energy: -0.125
local terms energy: -103.216748
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -256.503465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.503465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.503465 (E_RNA)
where:
Base-Base interactions energy: -171.255
where: short stacking energy: -74.275
Base-Backbone interact. energy: -1.096
local terms energy: -84.151980
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -260.900161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.900161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.900161 (E_RNA)
where:
Base-Base interactions energy: -161.643
where: short stacking energy: -83.451
Base-Backbone interact. energy: -0.598
local terms energy: -98.658573
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -22.001
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: 389
Temperature: 1.250000
Total energy: -227.759088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.759088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.759088 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -70.788
Base-Backbone interact. energy: -0.395
local terms energy: -88.409431
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -236.248191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.248191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.248191 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -61.418
Base-Backbone interact. energy: -1.151
local terms energy: -80.985433
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -212.189428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189428 (E_RNA)
where:
Base-Base interactions energy: -132.316
where: short stacking energy: -54.975
Base-Backbone interact. energy: 0.282
local terms energy: -80.155869
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -9.860
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: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -361.122731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.122731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.122731 (E_RNA)
where:
Base-Base interactions energy: -256.699
where: short stacking energy: -104.381
Base-Backbone interact. energy: 3.112
local terms energy: -107.536375
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -364.179116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.179116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.179116 (E_RNA)
where:
Base-Base interactions energy: -247.892
where: short stacking energy: -87.932
Base-Backbone interact. energy: -0.925
local terms energy: -115.362351
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -15.437
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: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -302.460193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.460193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.460193 (E_RNA)
where:
Base-Base interactions energy: -197.120
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.255
local terms energy: -105.085541
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -18.080
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: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -273.339137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.339137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.339137 (E_RNA)
where:
Base-Base interactions energy: -180.083
where: short stacking energy: -80.900
Base-Backbone interact. energy: 0.116
local terms energy: -93.371749
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -279.070087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.070087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.070087 (E_RNA)
where:
Base-Base interactions energy: -188.127
where: short stacking energy: -84.496
Base-Backbone interact. energy: -1.167
local terms energy: -89.776088
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -249.542955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.542955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.542955 (E_RNA)
where:
Base-Base interactions energy: -160.815
where: short stacking energy: -75.094
Base-Backbone interact. energy: -0.543
local terms energy: -88.185339
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -235.587838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.587838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.587838 (E_RNA)
where:
Base-Base interactions energy: -151.535
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.153
local terms energy: -83.899746
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -10.514
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -246.774615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.774615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.774615 (E_RNA)
where:
Base-Base interactions energy: -161.182
where: short stacking energy: -75.625
Base-Backbone interact. energy: -0.804
local terms energy: -84.788074
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -218.485206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.485206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.485206 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.139
local terms energy: -87.924429
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -14.067
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -224.689358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.689358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.689358 (E_RNA)
where:
Base-Base interactions energy: -144.377
where: short stacking energy: -66.660
Base-Backbone interact. energy: 0.133
local terms energy: -80.446083
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -354.931354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.931354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.931354 (E_RNA)
where:
Base-Base interactions energy: -242.146
where: short stacking energy: -100.482
Base-Backbone interact. energy: -1.754
local terms energy: -111.031695
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -349.411626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.411626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.411626 (E_RNA)
where:
Base-Base interactions energy: -243.949
where: short stacking energy: -89.580
Base-Backbone interact. energy: -0.344
local terms energy: -105.118787
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -16.201
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: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -319.657583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.657583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.657583 (E_RNA)
where:
Base-Base interactions energy: -216.690
where: short stacking energy: -93.848
Base-Backbone interact. energy: -0.488
local terms energy: -102.478758
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -293.979902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.979902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.979902 (E_RNA)
where:
Base-Base interactions energy: -188.332
where: short stacking energy: -89.473
Base-Backbone interact. energy: -0.983
local terms energy: -104.664949
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -22.472
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: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -250.781555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.781555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.781555 (E_RNA)
where:
Base-Base interactions energy: -167.310
where: short stacking energy: -76.846
Base-Backbone interact. energy: 1.474
local terms energy: -84.945344
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -19.139
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: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -264.058787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.058787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.058787 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -78.113
Base-Backbone interact. energy: -0.300
local terms energy: -91.163394
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -240.473054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.473054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.473054 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -73.015
Base-Backbone interact. energy: -1.043
local terms energy: -84.011715
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -14.436
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: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -253.634149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.634149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.634149 (E_RNA)
where:
Base-Base interactions energy: -156.372
where: short stacking energy: -78.908
Base-Backbone interact. energy: -0.082
local terms energy: -97.180092
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -18.208
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -209.636037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.636037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.636037 (E_RNA)
where:
Base-Base interactions energy: -128.589
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.339
local terms energy: -80.707813
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -14.634
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: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -197.688494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.688494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.688494 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.046
local terms energy: -70.673631
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -363.307762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.307762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.307762 (E_RNA)
where:
Base-Base interactions energy: -250.595
where: short stacking energy: -95.046
Base-Backbone interact. energy: -0.351
local terms energy: -112.361660
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -350.445855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.445855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.445855 (E_RNA)
where:
Base-Base interactions energy: -244.070
where: short stacking energy: -98.370
Base-Backbone interact. energy: -1.709
local terms energy: -104.666646
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -25.604
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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -300.920611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.920611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.920611 (E_RNA)
where:
Base-Base interactions energy: -195.480
where: short stacking energy: -109.392
Base-Backbone interact. energy: -1.036
local terms energy: -104.404296
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -10.932
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: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -304.670320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.670320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.670320 (E_RNA)
where:
Base-Base interactions energy: -207.031
where: short stacking energy: -89.757
Base-Backbone interact. energy: -0.840
local terms energy: -96.799917
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -19.165
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: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -285.085363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.085363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.085363 (E_RNA)
where:
Base-Base interactions energy: -187.264
where: short stacking energy: -91.596
Base-Backbone interact. energy: -0.232
local terms energy: -97.588869
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -16.689
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: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -254.493914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.493914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.493914 (E_RNA)
where:
Base-Base interactions energy: -169.059
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.039
local terms energy: -85.395895
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -19.549
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: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -259.965573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.965573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.965573 (E_RNA)
where:
Base-Base interactions energy: -161.095
where: short stacking energy: -77.636
Base-Backbone interact. energy: 4.060
local terms energy: -102.930359
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -217.726823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.726823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.726823 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.586
local terms energy: -86.813610
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -13.990
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: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -204.204412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.204412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.204412 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.785
local terms energy: -83.566730
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -193.447058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.447058 (E_RNA)
where:
Base-Base interactions energy: -115.583
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.043
local terms energy: -77.820218
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -357.467169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.467169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.467169 (E_RNA)
where:
Base-Base interactions energy: -244.640
where: short stacking energy: -95.524
Base-Backbone interact. energy: -0.319
local terms energy: -112.508845
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -20.941
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: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -333.419202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.419202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.419202 (E_RNA)
where:
Base-Base interactions energy: -230.357
where: short stacking energy: -106.640
Base-Backbone interact. energy: -0.337
local terms energy: -102.725104
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -294.636271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.636271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.636271 (E_RNA)
where:
Base-Base interactions energy: -192.853
where: short stacking energy: -95.963
Base-Backbone interact. energy: -0.020
local terms energy: -101.763453
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -287.974229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.974229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.974229 (E_RNA)
where:
Base-Base interactions energy: -185.972
where: short stacking energy: -90.013
Base-Backbone interact. energy: -0.174
local terms energy: -101.828226
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -264.091271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.091271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.091271 (E_RNA)
where:
Base-Base interactions energy: -174.558
where: short stacking energy: -81.456
Base-Backbone interact. energy: -1.091
local terms energy: -88.441585
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -255.747949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.747949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.747949 (E_RNA)
where:
Base-Base interactions energy: -175.387
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.329
local terms energy: -80.032077
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -259.157872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.157872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.157872 (E_RNA)
where:
Base-Base interactions energy: -170.181
where: short stacking energy: -70.440
Base-Backbone interact. energy: 1.041
local terms energy: -90.017635
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -17.701
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: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -227.179289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179289 (E_RNA)
where:
Base-Base interactions energy: -137.883
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.436
local terms energy: -88.860235
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -14.458
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: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -203.151938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151938 (E_RNA)
where:
Base-Base interactions energy: -116.267
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.331
local terms energy: -86.553066
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -10.751
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: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -182.962948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.962948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.962948 (E_RNA)
where:
Base-Base interactions energy: -109.443
where: short stacking energy: -51.213
Base-Backbone interact. energy: -0.353
local terms energy: -73.167530
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -11.127
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: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -354.537058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.537058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.537058 (E_RNA)
where:
Base-Base interactions energy: -240.701
where: short stacking energy: -91.636
Base-Backbone interact. energy: -0.309
local terms energy: -113.526989
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -24.070
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: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -358.959629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.959629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.959629 (E_RNA)
where:
Base-Base interactions energy: -250.163
where: short stacking energy: -97.612
Base-Backbone interact. energy: -1.683
local terms energy: -107.114079
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -26.011
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: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -313.069780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.069780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.069780 (E_RNA)
where:
Base-Base interactions energy: -195.126
where: short stacking energy: -107.888
Base-Backbone interact. energy: -0.427
local terms energy: -117.516795
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -30.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -287.830106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.830106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.830106 (E_RNA)
where:
Base-Base interactions energy: -191.811
where: short stacking energy: -94.083
Base-Backbone interact. energy: -0.432
local terms energy: -95.586284
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -15.033
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: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -266.715802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.715802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.715802 (E_RNA)
where:
Base-Base interactions energy: -182.829
where: short stacking energy: -87.645
Base-Backbone interact. energy: -0.233
local terms energy: -83.653414
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -275.602958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.602958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.602958 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -86.957
Base-Backbone interact. energy: 0.956
local terms energy: -99.973391
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -19.271
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: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -259.896576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.896576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.896576 (E_RNA)
where:
Base-Base interactions energy: -157.858
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.131
local terms energy: -101.907316
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -255.629313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.629313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.629313 (E_RNA)
where:
Base-Base interactions energy: -168.511
where: short stacking energy: -75.396
Base-Backbone interact. energy: -0.322
local terms energy: -86.796332
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -13.337
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: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -181.247507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.247507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.247507 (E_RNA)
where:
Base-Base interactions energy: -103.733
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.297
local terms energy: -77.217086
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -193.046079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.046079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.046079 (E_RNA)
where:
Base-Base interactions energy: -111.108
where: short stacking energy: -55.025
Base-Backbone interact. energy: 2.219
local terms energy: -84.157136
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -359.510912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.510912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.510912 (E_RNA)
where:
Base-Base interactions energy: -246.113
where: short stacking energy: -95.398
Base-Backbone interact. energy: -0.302
local terms energy: -113.095814
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -347.148074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.148074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.148074 (E_RNA)
where:
Base-Base interactions energy: -238.161
where: short stacking energy: -99.956
Base-Backbone interact. energy: 0.436
local terms energy: -109.423524
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -27.796
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: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -310.607591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.607591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.607591 (E_RNA)
where:
Base-Base interactions energy: -202.891
where: short stacking energy: -88.878
Base-Backbone interact. energy: -0.845
local terms energy: -106.871495
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -280.436974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.436974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.436974 (E_RNA)
where:
Base-Base interactions energy: -166.897
where: short stacking energy: -85.429
Base-Backbone interact. energy: 0.649
local terms energy: -114.189405
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -16.696
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: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -284.074926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.074926 (E_RNA)
where:
Base-Base interactions energy: -177.571
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.105
local terms energy: -106.399441
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -265.379388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.379388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.379388 (E_RNA)
where:
Base-Base interactions energy: -171.829
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.088
local terms energy: -93.462557
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -258.209338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.209338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.209338 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.268
local terms energy: -91.666805
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -252.035427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.035427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.035427 (E_RNA)
where:
Base-Base interactions energy: -161.122
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.128
local terms energy: -90.784692
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -205.328268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.328268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.328268 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.584
local terms energy: -74.444438
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -208.089530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.089530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.089530 (E_RNA)
where:
Base-Base interactions energy: -124.968
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.767
local terms energy: -82.354628
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -355.405848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.405848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.405848 (E_RNA)
where:
Base-Base interactions energy: -245.602
where: short stacking energy: -103.015
Base-Backbone interact. energy: 0.054
local terms energy: -109.857503
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -355.110105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.110105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.110105 (E_RNA)
where:
Base-Base interactions energy: -245.878
where: short stacking energy: -90.761
Base-Backbone interact. energy: -0.945
local terms energy: -108.287203
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -28.539
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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -283.366052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.366052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.366052 (E_RNA)
where:
Base-Base interactions energy: -177.399
where: short stacking energy: -69.687
Base-Backbone interact. energy: -1.062
local terms energy: -104.904809
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -15.535
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: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -275.109461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.109461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.109461 (E_RNA)
where:
Base-Base interactions energy: -176.423
where: short stacking energy: -86.993
Base-Backbone interact. energy: -0.061
local terms energy: -98.624983
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -287.600240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.600240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.600240 (E_RNA)
where:
Base-Base interactions energy: -184.725
where: short stacking energy: -83.222
Base-Backbone interact. energy: 0.140
local terms energy: -103.014825
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -25.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -282.434296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.434296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.434296 (E_RNA)
where:
Base-Base interactions energy: -192.469
where: short stacking energy: -90.479
Base-Backbone interact. energy: 0.269
local terms energy: -90.234983
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -23.114
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: 396
Temperature: 1.200000
Total energy: -275.335452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.335452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.335452 (E_RNA)
where:
Base-Base interactions energy: -173.297
where: short stacking energy: -91.496
Base-Backbone interact. energy: 0.471
local terms energy: -102.508836
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -243.485315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.485315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.485315 (E_RNA)
where:
Base-Base interactions energy: -151.095
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.101
local terms energy: -92.289574
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -16.755
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: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -187.616326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.616326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.616326 (E_RNA)
where:
Base-Base interactions energy: -114.228
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.335
local terms energy: -73.052799
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -211.847069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.847069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.847069 (E_RNA)
where:
Base-Base interactions energy: -132.156
where: short stacking energy: -62.217
Base-Backbone interact. energy: 0.952
local terms energy: -80.642988
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -353.249575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.249575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.249575 (E_RNA)
where:
Base-Base interactions energy: -241.035
where: short stacking energy: -91.699
Base-Backbone interact. energy: -0.282
local terms energy: -111.932216
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -24.548
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: 397
Temperature: 0.950000
Total energy: -355.954690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.954690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.954690 (E_RNA)
where:
Base-Base interactions energy: -244.804
where: short stacking energy: -99.617
Base-Backbone interact. energy: -1.019
local terms energy: -110.131478
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -294.552772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.552772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.552772 (E_RNA)
where:
Base-Base interactions energy: -179.613
where: short stacking energy: -92.296
Base-Backbone interact. energy: -0.174
local terms energy: -114.766312
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -27.437
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -294.960428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.960428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.960428 (E_RNA)
where:
Base-Base interactions energy: -189.098
where: short stacking energy: -93.075
Base-Backbone interact. energy: -0.129
local terms energy: -105.733349
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -27.422
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: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -278.373342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.373342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.373342 (E_RNA)
where:
Base-Base interactions energy: -174.970
where: short stacking energy: -75.536
Base-Backbone interact. energy: 0.191
local terms energy: -103.593945
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -24.562
flat angles P-C4'-P energy: -13.251
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -268.773649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.773649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.773649 (E_RNA)
where:
Base-Base interactions energy: -174.295
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.168
local terms energy: -94.310588
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -18.205
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: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -267.538941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.538941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.538941 (E_RNA)
where:
Base-Base interactions energy: -180.163
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.234
local terms energy: -87.142823
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -196.081929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.081929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.081929 (E_RNA)
where:
Base-Base interactions energy: -113.263
where: short stacking energy: -52.554
Base-Backbone interact. energy: -0.344
local terms energy: -82.475116
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -238.878168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.878168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.878168 (E_RNA)
where:
Base-Base interactions energy: -147.440
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.605
local terms energy: -90.833606
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -193.690536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.690536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.690536 (E_RNA)
where:
Base-Base interactions energy: -130.639
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.326
local terms energy: -62.726260
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -358.549271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.549271 (E_RNA)
where:
Base-Base interactions energy: -247.738
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.468
local terms energy: -110.342716
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -25.395
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: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -364.755405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.755405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.755405 (E_RNA)
where:
Base-Base interactions energy: -251.758
where: short stacking energy: -103.315
Base-Backbone interact. energy: -1.135
local terms energy: -111.862965
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -24.919
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -311.366924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.366924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.366924 (E_RNA)
where:
Base-Base interactions energy: -202.970
where: short stacking energy: -98.385
Base-Backbone interact. energy: 0.213
local terms energy: -108.609539
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -284.454424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.454424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.454424 (E_RNA)
where:
Base-Base interactions energy: -176.203
where: short stacking energy: -73.278
Base-Backbone interact. energy: -0.492
local terms energy: -107.759589
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -262.075287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.075287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.075287 (E_RNA)
where:
Base-Base interactions energy: -165.269
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.552
local terms energy: -96.254553
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -274.582261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.582261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.582261 (E_RNA)
where:
Base-Base interactions energy: -174.815
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.141
local terms energy: -99.626785
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -255.379723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.379723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.379723 (E_RNA)
where:
Base-Base interactions energy: -174.304
where: short stacking energy: -72.575
Base-Backbone interact. energy: 0.256
local terms energy: -81.332053
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -212.051647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.051647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.051647 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -53.536
Base-Backbone interact. energy: -0.159
local terms energy: -77.453388
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -241.775360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.775360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.775360 (E_RNA)
where:
Base-Base interactions energy: -156.801
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.108
local terms energy: -84.866216
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -14.847
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -215.019751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.019751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.019751 (E_RNA)
where:
Base-Base interactions energy: -133.749
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.037
local terms energy: -81.233825
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -13.090
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: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -361.692600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.692600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.692600 (E_RNA)
where:
Base-Base interactions energy: -242.178
where: short stacking energy: -99.162
Base-Backbone interact. energy: -0.471
local terms energy: -119.043586
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -25.484
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -310.606049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.606049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.606049 (E_RNA)
where:
Base-Base interactions energy: -205.960
where: short stacking energy: -102.547
Base-Backbone interact. energy: -0.079
local terms energy: -104.566786
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -23.611
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -329.012443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.012443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.012443 (E_RNA)
where:
Base-Base interactions energy: -227.607
where: short stacking energy: -96.113
Base-Backbone interact. energy: -0.367
local terms energy: -101.038432
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -281.190861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.190861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.190861 (E_RNA)
where:
Base-Base interactions energy: -171.027
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.107
local terms energy: -110.056756
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -280.891885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.891885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.891885 (E_RNA)
where:
Base-Base interactions energy: -185.046
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.275
local terms energy: -95.570735
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -17.641
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: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -272.429818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.429818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.429818 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.975
local terms energy: -104.748069
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -22.050
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: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -258.923199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.923199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.923199 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -72.131
Base-Backbone interact. energy: -1.001
local terms energy: -86.146542
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -13.090
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: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -252.612643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.612643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.612643 (E_RNA)
where:
Base-Base interactions energy: -157.153
where: short stacking energy: -76.985
Base-Backbone interact. energy: -0.183
local terms energy: -95.276773
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -14.471
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -203.182075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.182075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.182075 (E_RNA)
where:
Base-Base interactions energy: -119.012
where: short stacking energy: -64.493
Base-Backbone interact. energy: 2.288
local terms energy: -86.457964
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -242.624383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.624383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.624383 (E_RNA)
where:
Base-Base interactions energy: -158.580
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.190
local terms energy: -83.854596
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -342.573913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.573913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.573913 (E_RNA)
where:
Base-Base interactions energy: -236.280
where: short stacking energy: -89.874
Base-Backbone interact. energy: -0.802
local terms energy: -105.491994
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -21.663
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -304.892666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.892666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.892666 (E_RNA)
where:
Base-Base interactions energy: -197.620
where: short stacking energy: -87.518
Base-Backbone interact. energy: -0.907
local terms energy: -106.365227
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -26.168
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: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -339.939570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.939570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.939570 (E_RNA)
where:
Base-Base interactions energy: -230.197
where: short stacking energy: -98.629
Base-Backbone interact. energy: 0.617
local terms energy: -110.359120
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -287.920858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.920858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.920858 (E_RNA)
where:
Base-Base interactions energy: -187.518
where: short stacking energy: -87.893
Base-Backbone interact. energy: -0.132
local terms energy: -100.270463
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -14.858
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: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -293.627347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.627347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.627347 (E_RNA)
where:
Base-Base interactions energy: -192.445
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.270
local terms energy: -100.912539
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -18.847
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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -264.041243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.041243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.041243 (E_RNA)
where:
Base-Base interactions energy: -174.110
where: short stacking energy: -92.146
Base-Backbone interact. energy: -0.106
local terms energy: -89.825116
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -23.372
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: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -273.509614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.509614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.509614 (E_RNA)
where:
Base-Base interactions energy: -177.715
where: short stacking energy: -92.733
Base-Backbone interact. energy: 0.252
local terms energy: -96.046382
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -14.714
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: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -255.544652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.544652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.544652 (E_RNA)
where:
Base-Base interactions energy: -168.462
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.469
local terms energy: -86.613075
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -231.916322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.916322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.916322 (E_RNA)
where:
Base-Base interactions energy: -147.329
where: short stacking energy: -67.223
Base-Backbone interact. energy: 4.209
local terms energy: -88.795669
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.383
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: 400
Temperature: 1.350000
Total energy: -198.307549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.307549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.307549 (E_RNA)
where:
Base-Base interactions energy: -137.431
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.642
local terms energy: -60.234515
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -362.396659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.396659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.396659 (E_RNA)
where:
Base-Base interactions energy: -247.344
where: short stacking energy: -90.915
Base-Backbone interact. energy: -0.630
local terms energy: -114.422260
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -348.044600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.044600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.044600 (E_RNA)
where:
Base-Base interactions energy: -242.599
where: short stacking energy: -91.210
Base-Backbone interact. energy: -0.881
local terms energy: -104.564985
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -314.447114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.447114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.447114 (E_RNA)
where:
Base-Base interactions energy: -208.446
where: short stacking energy: -86.738
Base-Backbone interact. energy: -0.777
local terms energy: -105.224019
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -30.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -312.211092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.211092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.211092 (E_RNA)
where:
Base-Base interactions energy: -205.094
where: short stacking energy: -92.065
Base-Backbone interact. energy: 0.220
local terms energy: -107.336904
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -280.892238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.892238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.892238 (E_RNA)
where:
Base-Base interactions energy: -185.962
where: short stacking energy: -76.754
Base-Backbone interact. energy: 1.319
local terms energy: -96.249597
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -276.979105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.979105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.979105 (E_RNA)
where:
Base-Base interactions energy: -181.949
where: short stacking energy: -87.435
Base-Backbone interact. energy: -0.637
local terms energy: -94.392217
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -255.558484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.558484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.558484 (E_RNA)
where:
Base-Base interactions energy: -162.023
where: short stacking energy: -77.279
Base-Backbone interact. energy: 2.224
local terms energy: -95.759846
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -18.987
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -239.114008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114008 (E_RNA)
where:
Base-Base interactions energy: -158.545
where: short stacking energy: -79.972
Base-Backbone interact. energy: -0.048
local terms energy: -80.520976
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -18.144
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: 401
Temperature: 1.300000
Total energy: -242.700188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.700188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.700188 (E_RNA)
where:
Base-Base interactions energy: -161.482
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.233
local terms energy: -80.985066
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -193.405723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.405723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.405723 (E_RNA)
where:
Base-Base interactions energy: -109.850
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.437
local terms energy: -83.119654
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -7.397
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: 402
Temperature: 0.900000
Total energy: -359.257066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.257066 (E_RNA)
where:
Base-Base interactions energy: -246.588
where: short stacking energy: -100.190
Base-Backbone interact. energy: -0.312
local terms energy: -112.356491
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -352.994609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.994609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.994609 (E_RNA)
where:
Base-Base interactions energy: -234.788
where: short stacking energy: -101.214
Base-Backbone interact. energy: -0.465
local terms energy: -117.741577
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -17.465
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: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -308.486090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.486090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.486090 (E_RNA)
where:
Base-Base interactions energy: -209.645
where: short stacking energy: -98.688
Base-Backbone interact. energy: -0.335
local terms energy: -98.506055
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -298.407229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.407229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.407229 (E_RNA)
where:
Base-Base interactions energy: -196.006
where: short stacking energy: -97.854
Base-Backbone interact. energy: -0.412
local terms energy: -101.988810
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -277.578960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.578960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.578960 (E_RNA)
where:
Base-Base interactions energy: -183.393
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.258
local terms energy: -93.928785
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -16.971
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: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -258.925190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.925190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.925190 (E_RNA)
where:
Base-Base interactions energy: -167.996
where: short stacking energy: -65.743
Base-Backbone interact. energy: -0.478
local terms energy: -90.451382
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -247.026640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.026640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.026640 (E_RNA)
where:
Base-Base interactions energy: -167.021
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.268
local terms energy: -79.737469
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -13.730
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -233.428125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.428125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.428125 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -64.955
Base-Backbone interact. energy: -0.013
local terms energy: -87.842512
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -11.696
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: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -187.871368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.871368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.871368 (E_RNA)
where:
Base-Base interactions energy: -109.699
where: short stacking energy: -51.640
Base-Backbone interact. energy: 0.260
local terms energy: -78.432795
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -211.289246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.289246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.289246 (E_RNA)
where:
Base-Base interactions energy: -123.675
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.406
local terms energy: -87.207798
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -13.670
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: 403
Temperature: 0.900000
Total energy: -365.036853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.036853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.036853 (E_RNA)
where:
Base-Base interactions energy: -250.926
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.345
local terms energy: -113.766144
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -296.910115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.910115 (E_RNA)
where:
Base-Base interactions energy: -192.548
where: short stacking energy: -88.965
Base-Backbone interact. energy: -0.345
local terms energy: -104.016997
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -335.651911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.651911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.651911 (E_RNA)
where:
Base-Base interactions energy: -223.463
where: short stacking energy: -94.490
Base-Backbone interact. energy: -0.911
local terms energy: -111.277196
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -27.566
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: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -294.990476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.990476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.990476 (E_RNA)
where:
Base-Base interactions energy: -191.140
where: short stacking energy: -84.189
Base-Backbone interact. energy: -0.099
local terms energy: -103.750985
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -13.828
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: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -283.927507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.927507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.927507 (E_RNA)
where:
Base-Base interactions energy: -182.235
where: short stacking energy: -77.886
Base-Backbone interact. energy: -0.231
local terms energy: -101.461131
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -24.724
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -258.599598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.599598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.599598 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.227
local terms energy: -87.679644
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -16.558
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: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -225.254942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254942 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -72.890
Base-Backbone interact. energy: -0.121
local terms energy: -85.458177
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -250.008112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.008112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.008112 (E_RNA)
where:
Base-Base interactions energy: -160.917
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.061
local terms energy: -89.030256
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -11.652
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: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -203.328432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.328432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.328432 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -58.138
Base-Backbone interact. energy: -1.321
local terms energy: -72.073506
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -195.648065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.648065 (E_RNA)
where:
Base-Base interactions energy: -125.868
where: short stacking energy: -56.214
Base-Backbone interact. energy: 0.181
local terms energy: -69.961721
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -356.785278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.785278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.785278 (E_RNA)
where:
Base-Base interactions energy: -253.202
where: short stacking energy: -91.875
Base-Backbone interact. energy: -0.666
local terms energy: -102.917277
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -306.984733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.984733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.984733 (E_RNA)
where:
Base-Base interactions energy: -198.307
where: short stacking energy: -95.765
Base-Backbone interact. energy: -0.285
local terms energy: -108.392535
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -23.963
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: 404
Temperature: 1.000000
Total energy: -344.982537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.982537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.982537 (E_RNA)
where:
Base-Base interactions energy: -232.930
where: short stacking energy: -101.988
Base-Backbone interact. energy: -1.242
local terms energy: -110.810342
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -295.047408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.047408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.047408 (E_RNA)
where:
Base-Base interactions energy: -195.065
where: short stacking energy: -93.792
Base-Backbone interact. energy: 0.784
local terms energy: -100.766524
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -22.750
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: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -268.952767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.952767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.952767 (E_RNA)
where:
Base-Base interactions energy: -179.345
where: short stacking energy: -88.659
Base-Backbone interact. energy: -0.696
local terms energy: -88.911746
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -264.618799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.618799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.618799 (E_RNA)
where:
Base-Base interactions energy: -165.325
where: short stacking energy: -75.636
Base-Backbone interact. energy: -0.641
local terms energy: -98.652566
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -244.853771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.853771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.853771 (E_RNA)
where:
Base-Base interactions energy: -149.752
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.141
local terms energy: -94.960216
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -225.236358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.236358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236358 (E_RNA)
where:
Base-Base interactions energy: -134.887
where: short stacking energy: -75.683
Base-Backbone interact. energy: -0.217
local terms energy: -90.131776
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -10.211
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -228.502798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.502798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.502798 (E_RNA)
where:
Base-Base interactions energy: -146.649
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.309
local terms energy: -81.544450
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -10.584
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: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -195.813986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.813986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.813986 (E_RNA)
where:
Base-Base interactions energy: -114.377
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.496
local terms energy: -80.940438
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -9.829
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: 405
Temperature: 0.900000
Total energy: -360.770314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.770314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.770314 (E_RNA)
where:
Base-Base interactions energy: -251.076
where: short stacking energy: -93.595
Base-Backbone interact. energy: -1.065
local terms energy: -108.629795
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -15.474
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: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -349.137037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.137037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.137037 (E_RNA)
where:
Base-Base interactions energy: -240.706
where: short stacking energy: -107.556
Base-Backbone interact. energy: 0.134
local terms energy: -108.564961
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -27.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -290.255715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.255715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.255715 (E_RNA)
where:
Base-Base interactions energy: -188.634
where: short stacking energy: -94.929
Base-Backbone interact. energy: -0.284
local terms energy: -101.338404
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -23.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -281.635802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.635802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.635802 (E_RNA)
where:
Base-Base interactions energy: -188.048
where: short stacking energy: -84.800
Base-Backbone interact. energy: -0.163
local terms energy: -93.424855
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -19.121
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -279.044578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.044578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.044578 (E_RNA)
where:
Base-Base interactions energy: -189.464
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.166
local terms energy: -89.414452
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -274.380456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.380456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.380456 (E_RNA)
where:
Base-Base interactions energy: -175.138
where: short stacking energy: -90.492
Base-Backbone interact. energy: 0.010
local terms energy: -99.252287
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -12.269
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: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -256.466477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.466477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.466477 (E_RNA)
where:
Base-Base interactions energy: -166.113
where: short stacking energy: -77.239
Base-Backbone interact. energy: -0.317
local terms energy: -90.035981
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -252.377737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.377737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.377737 (E_RNA)
where:
Base-Base interactions energy: -161.143
where: short stacking energy: -81.626
Base-Backbone interact. energy: -0.074
local terms energy: -91.160454
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -218.804112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.804112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.804112 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.459
local terms energy: -81.551110
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -14.246
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: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -232.437717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.437717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.437717 (E_RNA)
where:
Base-Base interactions energy: -148.655
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.183
local terms energy: -83.599339
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -363.386027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.386027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.386027 (E_RNA)
where:
Base-Base interactions energy: -250.645
where: short stacking energy: -96.525
Base-Backbone interact. energy: -0.855
local terms energy: -111.886019
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -359.367575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.367575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.367575 (E_RNA)
where:
Base-Base interactions energy: -251.008
where: short stacking energy: -94.798
Base-Backbone interact. energy: -2.018
local terms energy: -106.341093
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -296.571832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.571832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.571832 (E_RNA)
where:
Base-Base interactions energy: -196.882
where: short stacking energy: -98.447
Base-Backbone interact. energy: -0.009
local terms energy: -99.681395
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -261.514147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.514147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.514147 (E_RNA)
where:
Base-Base interactions energy: -165.198
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.205
local terms energy: -96.111014
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -15.199
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: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -265.170031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.170031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.170031 (E_RNA)
where:
Base-Base interactions energy: -176.024
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.073
local terms energy: -89.072997
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -264.186194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.186194 (E_RNA)
where:
Base-Base interactions energy: -160.816
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.063
local terms energy: -103.307057
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -257.709382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.709382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.709382 (E_RNA)
where:
Base-Base interactions energy: -166.235
where: short stacking energy: -75.120
Base-Backbone interact. energy: -0.027
local terms energy: -91.447717
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -236.408066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.408066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.408066 (E_RNA)
where:
Base-Base interactions energy: -151.064
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.247
local terms energy: -85.096763
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -209.273009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.273009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.273009 (E_RNA)
where:
Base-Base interactions energy: -120.142
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.364
local terms energy: -88.766356
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -9.579
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: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -183.628194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.628194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.628194 (E_RNA)
where:
Base-Base interactions energy: -106.784
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.412
local terms energy: -76.432311
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -354.771174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.771174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.771174 (E_RNA)
where:
Base-Base interactions energy: -233.422
where: short stacking energy: -102.539
Base-Backbone interact. energy: -1.690
local terms energy: -119.658571
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -29.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -343.660218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.660218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.660218 (E_RNA)
where:
Base-Base interactions energy: -236.813
where: short stacking energy: -97.986
Base-Backbone interact. energy: -0.578
local terms energy: -106.269188
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -295.772195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.772195 (E_RNA)
where:
Base-Base interactions energy: -185.278
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.031
local terms energy: -110.462939
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -26.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -294.505030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.505030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.505030 (E_RNA)
where:
Base-Base interactions energy: -185.552
where: short stacking energy: -86.131
Base-Backbone interact. energy: 0.342
local terms energy: -109.295355
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -17.656
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: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -270.710077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.710077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.710077 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -82.591
Base-Backbone interact. energy: -0.882
local terms energy: -95.304635
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -276.538096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.538096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.538096 (E_RNA)
where:
Base-Base interactions energy: -179.067
where: short stacking energy: -94.023
Base-Backbone interact. energy: -0.230
local terms energy: -97.240877
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -27.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -259.972072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.972072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.972072 (E_RNA)
where:
Base-Base interactions energy: -163.471
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.071
local terms energy: -96.429854
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -244.763387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.763387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.763387 (E_RNA)
where:
Base-Base interactions energy: -163.608
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.116
local terms energy: -81.039326
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -234.401246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.401246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.401246 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.944
local terms energy: -84.033238
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -186.650907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.650907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.650907 (E_RNA)
where:
Base-Base interactions energy: -112.229
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.584
local terms energy: -73.838300
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -3.989
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -361.053625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.053625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.053625 (E_RNA)
where:
Base-Base interactions energy: -246.959
where: short stacking energy: -111.433
Base-Backbone interact. energy: -1.888
local terms energy: -112.206560
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -339.535621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.535621 (E_RNA)
where:
Base-Base interactions energy: -238.295
where: short stacking energy: -101.411
Base-Backbone interact. energy: -0.943
local terms energy: -100.298097
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -13.836
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: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -313.348267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.348267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.348267 (E_RNA)
where:
Base-Base interactions energy: -207.297
where: short stacking energy: -104.272
Base-Backbone interact. energy: -0.221
local terms energy: -105.830261
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -293.105959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.105959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.105959 (E_RNA)
where:
Base-Base interactions energy: -192.627
where: short stacking energy: -100.199
Base-Backbone interact. energy: -1.010
local terms energy: -99.468656
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -26.253
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -281.478454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.478454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.478454 (E_RNA)
where:
Base-Base interactions energy: -178.693
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.263
local terms energy: -102.522028
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -14.761
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -253.531036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.531036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.531036 (E_RNA)
where:
Base-Base interactions energy: -166.757
where: short stacking energy: -75.882
Base-Backbone interact. energy: -0.347
local terms energy: -86.427492
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -259.626304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.626304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.626304 (E_RNA)
where:
Base-Base interactions energy: -158.879
where: short stacking energy: -83.969
Base-Backbone interact. energy: -0.031
local terms energy: -100.716298
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -236.505655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.505655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.505655 (E_RNA)
where:
Base-Base interactions energy: -152.565
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.370
local terms energy: -83.570384
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -228.338550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.338550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.338550 (E_RNA)
where:
Base-Base interactions energy: -144.111
where: short stacking energy: -64.624
Base-Backbone interact. energy: 1.163
local terms energy: -85.390444
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -207.137709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.137709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137709 (E_RNA)
where:
Base-Base interactions energy: -136.737
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.092
local terms energy: -70.308107
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -7.537
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -348.711750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.711750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.711750 (E_RNA)
where:
Base-Base interactions energy: -233.660
where: short stacking energy: -107.424
Base-Backbone interact. energy: -0.488
local terms energy: -114.563088
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -25.259
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -352.315950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.315950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.315950 (E_RNA)
where:
Base-Base interactions energy: -244.583
where: short stacking energy: -91.010
Base-Backbone interact. energy: -1.639
local terms energy: -106.093957
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -13.970
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: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -313.944473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.944473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.944473 (E_RNA)
where:
Base-Base interactions energy: -201.672
where: short stacking energy: -106.036
Base-Backbone interact. energy: -0.712
local terms energy: -111.560442
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -294.242973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.242973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.242973 (E_RNA)
where:
Base-Base interactions energy: -190.873
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.236
local terms energy: -103.134085
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -19.092
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: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -273.602635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.602635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.602635 (E_RNA)
where:
Base-Base interactions energy: -169.149
where: short stacking energy: -74.088
Base-Backbone interact. energy: -0.075
local terms energy: -104.378281
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -260.234011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.234011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.234011 (E_RNA)
where:
Base-Base interactions energy: -160.932
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.348
local terms energy: -98.953697
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -249.249986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.249986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.249986 (E_RNA)
where:
Base-Base interactions energy: -156.032
where: short stacking energy: -68.517
Base-Backbone interact. energy: -1.043
local terms energy: -92.175356
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -256.607125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.607125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.607125 (E_RNA)
where:
Base-Base interactions energy: -174.572
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.037
local terms energy: -81.998274
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -204.683516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.683516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.683516 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.281
local terms energy: -74.150626
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -195.760828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.760828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.760828 (E_RNA)
where:
Base-Base interactions energy: -117.475
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.162
local terms energy: -78.123835
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -11.228
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: 410
Temperature: 0.900000
Total energy: -341.922112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.922112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.922112 (E_RNA)
where:
Base-Base interactions energy: -240.482
where: short stacking energy: -102.463
Base-Backbone interact. energy: -0.316
local terms energy: -101.124642
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -347.207161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.207161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.207161 (E_RNA)
where:
Base-Base interactions energy: -248.548
where: short stacking energy: -103.570
Base-Backbone interact. energy: -1.588
local terms energy: -97.071107
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -300.525999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.525999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.525999 (E_RNA)
where:
Base-Base interactions energy: -192.654
where: short stacking energy: -87.703
Base-Backbone interact. energy: -0.121
local terms energy: -107.751783
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -22.679
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: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -289.047173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.047173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.047173 (E_RNA)
where:
Base-Base interactions energy: -185.019
where: short stacking energy: -99.265
Base-Backbone interact. energy: -0.085
local terms energy: -103.942584
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -16.482
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -271.062569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.062569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.062569 (E_RNA)
where:
Base-Base interactions energy: -173.709
where: short stacking energy: -83.085
Base-Backbone interact. energy: -1.183
local terms energy: -96.170589
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -269.417365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.417365 (E_RNA)
where:
Base-Base interactions energy: -169.016
where: short stacking energy: -85.521
Base-Backbone interact. energy: -0.048
local terms energy: -100.352971
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -15.149
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: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -247.806140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.806140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.806140 (E_RNA)
where:
Base-Base interactions energy: -159.775
where: short stacking energy: -71.412
Base-Backbone interact. energy: -1.320
local terms energy: -86.711724
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -235.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.761649 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.225
local terms energy: -89.039280
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -222.213480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.213480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.213480 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.745
local terms energy: -80.461881
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -8.424
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: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -163.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.409004 (E_RNA)
where:
Base-Base interactions energy: -96.451
where: short stacking energy: -43.212
Base-Backbone interact. energy: 1.226
local terms energy: -68.184718
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -346.205033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.205033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.205033 (E_RNA)
where:
Base-Base interactions energy: -232.405
where: short stacking energy: -102.450
Base-Backbone interact. energy: -0.490
local terms energy: -113.310145
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -26.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -357.103184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.103184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.103184 (E_RNA)
where:
Base-Base interactions energy: -244.636
where: short stacking energy: -106.367
Base-Backbone interact. energy: 0.099
local terms energy: -112.566672
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -27.836
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -286.285214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.285214 (E_RNA)
where:
Base-Base interactions energy: -192.739
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.367
local terms energy: -93.179066
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -14.175
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: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -270.948135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.948135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.948135 (E_RNA)
where:
Base-Base interactions energy: -181.233
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.246
local terms energy: -89.469800
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -276.955224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.955224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.955224 (E_RNA)
where:
Base-Base interactions energy: -178.429
where: short stacking energy: -86.058
Base-Backbone interact. energy: -0.032
local terms energy: -98.494555
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -14.658
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: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -279.586498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.586498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.586498 (E_RNA)
where:
Base-Base interactions energy: -188.615
where: short stacking energy: -86.535
Base-Backbone interact. energy: -0.174
local terms energy: -90.797598
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -22.549
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: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -268.230089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.230089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.230089 (E_RNA)
where:
Base-Base interactions energy: -181.604
where: short stacking energy: -70.981
Base-Backbone interact. energy: 0.328
local terms energy: -86.954030
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -197.923863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.923863 (E_RNA)
where:
Base-Base interactions energy: -118.826
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.336
local terms energy: -78.762124
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -7.058
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: 411
Temperature: 1.300000
Total energy: -212.795486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795486 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.583
local terms energy: -80.447770
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -201.680207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680207 (E_RNA)
where:
Base-Base interactions energy: -132.415
where: short stacking energy: -57.470
Base-Backbone interact. energy: 2.567
local terms energy: -71.831314
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -11.363
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: 412
Temperature: 0.900000
Total energy: -355.520822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.520822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.520822 (E_RNA)
where:
Base-Base interactions energy: -237.360
where: short stacking energy: -98.476
Base-Backbone interact. energy: -0.300
local terms energy: -117.861119
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -30.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -334.546512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.546512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.546512 (E_RNA)
where:
Base-Base interactions energy: -232.045
where: short stacking energy: -98.371
Base-Backbone interact. energy: 0.277
local terms energy: -102.777738
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -23.616
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: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -277.227351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.227351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.227351 (E_RNA)
where:
Base-Base interactions energy: -180.237
where: short stacking energy: -84.982
Base-Backbone interact. energy: -0.905
local terms energy: -96.085691
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -16.996
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: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -280.557301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.557301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.557301 (E_RNA)
where:
Base-Base interactions energy: -180.223
where: short stacking energy: -81.283
Base-Backbone interact. energy: -0.795
local terms energy: -99.539288
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -289.369492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.369492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.369492 (E_RNA)
where:
Base-Base interactions energy: -188.752
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.022
local terms energy: -100.595738
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -23.587
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: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -269.569452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.569452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.569452 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -75.681
Base-Backbone interact. energy: -0.037
local terms energy: -101.494466
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -14.295
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -271.723173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.723173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.723173 (E_RNA)
where:
Base-Base interactions energy: -185.278
where: short stacking energy: -77.723
Base-Backbone interact. energy: -0.807
local terms energy: -85.637744
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -212.945350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945350 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.656
local terms energy: -81.959883
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.675
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: 412
Temperature: 1.300000
Total energy: -238.362137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362137 (E_RNA)
where:
Base-Base interactions energy: -155.783
where: short stacking energy: -63.412
Base-Backbone interact. energy: 3.485
local terms energy: -86.064217
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -206.113553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.113553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.113553 (E_RNA)
where:
Base-Base interactions energy: -115.575
where: short stacking energy: -46.212
Base-Backbone interact. energy: -1.495
local terms energy: -89.043810
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -349.785458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.785458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.785458 (E_RNA)
where:
Base-Base interactions energy: -234.849
where: short stacking energy: -96.796
Base-Backbone interact. energy: -0.263
local terms energy: -114.674259
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -26.777
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: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -339.864981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.864981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.864981 (E_RNA)
where:
Base-Base interactions energy: -233.320
where: short stacking energy: -95.486
Base-Backbone interact. energy: -0.022
local terms energy: -106.522771
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -299.358399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.358399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.358399 (E_RNA)
where:
Base-Base interactions energy: -188.028
where: short stacking energy: -92.407
Base-Backbone interact. energy: -0.662
local terms energy: -110.668714
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -24.284
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: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -284.343883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.343883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.343883 (E_RNA)
where:
Base-Base interactions energy: -185.239
where: short stacking energy: -91.978
Base-Backbone interact. energy: -0.674
local terms energy: -98.431044
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -277.938061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.938061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.938061 (E_RNA)
where:
Base-Base interactions energy: -180.029
where: short stacking energy: -88.321
Base-Backbone interact. energy: 0.510
local terms energy: -98.419954
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -262.546281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.546281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.546281 (E_RNA)
where:
Base-Base interactions energy: -165.401
where: short stacking energy: -80.527
Base-Backbone interact. energy: 1.090
local terms energy: -98.235374
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -251.076695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.076695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.076695 (E_RNA)
where:
Base-Base interactions energy: -164.952
where: short stacking energy: -76.335
Base-Backbone interact. energy: -0.127
local terms energy: -85.997280
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -253.905969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.905969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.905969 (E_RNA)
where:
Base-Base interactions energy: -160.916
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.098
local terms energy: -92.891884
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -12.672
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -192.288510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.288510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.288510 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.160
local terms energy: -83.771637
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -10.973
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: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -197.498541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.498541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.498541 (E_RNA)
where:
Base-Base interactions energy: -118.544
where: short stacking energy: -60.333
Base-Backbone interact. energy: 1.670
local terms energy: -80.624783
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -6.621
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: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -350.130896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.130896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.130896 (E_RNA)
where:
Base-Base interactions energy: -240.218
where: short stacking energy: -100.484
Base-Backbone interact. energy: -1.399
local terms energy: -108.513871
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -26.398
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -342.604580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.604580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.604580 (E_RNA)
where:
Base-Base interactions energy: -234.424
where: short stacking energy: -109.864
Base-Backbone interact. energy: -0.333
local terms energy: -107.847906
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -298.504616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.504616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.504616 (E_RNA)
where:
Base-Base interactions energy: -185.074
where: short stacking energy: -94.573
Base-Backbone interact. energy: -0.188
local terms energy: -113.242327
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -298.084496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.084496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.084496 (E_RNA)
where:
Base-Base interactions energy: -192.302
where: short stacking energy: -101.047
Base-Backbone interact. energy: 0.183
local terms energy: -105.965634
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -25.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -280.117767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.117767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.117767 (E_RNA)
where:
Base-Base interactions energy: -171.161
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.083
local terms energy: -108.873995
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -278.107095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.107095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.107095 (E_RNA)
where:
Base-Base interactions energy: -168.954
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.495
local terms energy: -108.658148
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -253.055220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.055220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.055220 (E_RNA)
where:
Base-Base interactions energy: -173.315
where: short stacking energy: -78.760
Base-Backbone interact. energy: -0.088
local terms energy: -79.652866
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -7.095
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: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -242.822897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.822897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.822897 (E_RNA)
where:
Base-Base interactions energy: -160.839
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.573
local terms energy: -81.410326
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -14.856
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: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -196.290394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.290394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.290394 (E_RNA)
where:
Base-Base interactions energy: -121.474
where: short stacking energy: -57.398
Base-Backbone interact. energy: -0.103
local terms energy: -74.712865
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -174.836342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.836342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.836342 (E_RNA)
where:
Base-Base interactions energy: -109.170
where: short stacking energy: -50.102
Base-Backbone interact. energy: -0.422
local terms energy: -65.243977
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -0.408
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: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -342.378713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.378713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.378713 (E_RNA)
where:
Base-Base interactions energy: -227.848
where: short stacking energy: -106.338
Base-Backbone interact. energy: -0.393
local terms energy: -114.138477
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -30.036
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: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -338.089239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.089239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.089239 (E_RNA)
where:
Base-Base interactions energy: -225.510
where: short stacking energy: -99.643
Base-Backbone interact. energy: -0.616
local terms energy: -111.962960
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -310.523866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.523866 (E_RNA)
where:
Base-Base interactions energy: -198.712
where: short stacking energy: -96.626
Base-Backbone interact. energy: -0.022
local terms energy: -111.790017
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -27.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -296.551955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.551955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.551955 (E_RNA)
where:
Base-Base interactions energy: -194.678
where: short stacking energy: -95.522
Base-Backbone interact. energy: -0.881
local terms energy: -100.993084
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -286.788050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.788050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.788050 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -85.016
Base-Backbone interact. energy: -0.218
local terms energy: -95.205188
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -25.195
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: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -261.873496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.873496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.873496 (E_RNA)
where:
Base-Base interactions energy: -163.540
where: short stacking energy: -79.011
Base-Backbone interact. energy: 0.005
local terms energy: -98.338895
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -16.748
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: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -271.680415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.680415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.680415 (E_RNA)
where:
Base-Base interactions energy: -173.716
where: short stacking energy: -80.822
Base-Backbone interact. energy: 2.553
local terms energy: -100.516700
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -22.824
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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -203.384896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.384896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.384896 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -67.306
Base-Backbone interact. energy: -1.024
local terms energy: -85.051472
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -227.850284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.850284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.850284 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -68.322
Base-Backbone interact. energy: 1.725
local terms energy: -81.338716
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -196.816532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.816532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.816532 (E_RNA)
where:
Base-Base interactions energy: -119.430
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.190
local terms energy: -77.196363
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -345.290973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.290973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.290973 (E_RNA)
where:
Base-Base interactions energy: -230.332
where: short stacking energy: -97.051
Base-Backbone interact. energy: -2.316
local terms energy: -112.643033
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -26.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -345.883607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.883607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.883607 (E_RNA)
where:
Base-Base interactions energy: -233.638
where: short stacking energy: -94.551
Base-Backbone interact. energy: -2.339
local terms energy: -109.906707
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -24.089
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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -294.277118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.277118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.277118 (E_RNA)
where:
Base-Base interactions energy: -191.629
where: short stacking energy: -86.481
Base-Backbone interact. energy: -0.236
local terms energy: -102.411833
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -19.299
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -290.867148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.867148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.867148 (E_RNA)
where:
Base-Base interactions energy: -186.011
where: short stacking energy: -94.710
Base-Backbone interact. energy: -0.260
local terms energy: -104.595786
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.636
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: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -275.617190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.617190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.617190 (E_RNA)
where:
Base-Base interactions energy: -175.690
where: short stacking energy: -85.400
Base-Backbone interact. energy: -0.534
local terms energy: -99.392873
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -25.239
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: 416
Temperature: 1.150000
Total energy: -268.515378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.515378 (E_RNA)
where:
Base-Base interactions energy: -177.616
where: short stacking energy: -77.562
Base-Backbone interact. energy: 1.560
local terms energy: -92.459421
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -203.095011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.095011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.095011 (E_RNA)
where:
Base-Base interactions energy: -120.996
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.147
local terms energy: -81.952061
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.402
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -231.087699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.087699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.087699 (E_RNA)
where:
Base-Base interactions energy: -148.596
where: short stacking energy: -62.687
Base-Backbone interact. energy: 0.221
local terms energy: -82.713617
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -11.899
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: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -236.037409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.037409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.037409 (E_RNA)
where:
Base-Base interactions energy: -151.010
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.004
local terms energy: -85.023762
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -11.973
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -219.132169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132169 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -54.013
Base-Backbone interact. energy: -0.392
local terms energy: -85.105846
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -346.696668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.696668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.696668 (E_RNA)
where:
Base-Base interactions energy: -235.339
where: short stacking energy: -105.196
Base-Backbone interact. energy: -0.699
local terms energy: -110.658238
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -308.281273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.281273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.281273 (E_RNA)
where:
Base-Base interactions energy: -202.106
where: short stacking energy: -91.833
Base-Backbone interact. energy: -1.272
local terms energy: -104.903526
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -325.942528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.942528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.942528 (E_RNA)
where:
Base-Base interactions energy: -225.266
where: short stacking energy: -94.945
Base-Backbone interact. energy: -0.359
local terms energy: -100.317468
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -20.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -284.835651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.835651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.835651 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -88.152
Base-Backbone interact. energy: -0.959
local terms energy: -94.276275
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.613
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: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -261.965597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.965597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.965597 (E_RNA)
where:
Base-Base interactions energy: -158.685
where: short stacking energy: -75.219
Base-Backbone interact. energy: -0.858
local terms energy: -102.422747
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -252.783681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.783681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.783681 (E_RNA)
where:
Base-Base interactions energy: -157.056
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.477
local terms energy: -95.250894
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -211.077039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.077039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.077039 (E_RNA)
where:
Base-Base interactions energy: -124.388
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.011
local terms energy: -86.678830
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -257.374248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.374248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.374248 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.135
local terms energy: -91.890818
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -222.767719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767719 (E_RNA)
where:
Base-Base interactions energy: -137.471
where: short stacking energy: -52.064
Base-Backbone interact. energy: -0.051
local terms energy: -85.245982
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -227.373559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.373559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.373559 (E_RNA)
where:
Base-Base interactions energy: -146.320
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.152
local terms energy: -80.902220
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.682
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: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -352.842944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.842944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.842944 (E_RNA)
where:
Base-Base interactions energy: -238.834
where: short stacking energy: -100.637
Base-Backbone interact. energy: 2.018
local terms energy: -116.026923
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -26.043
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: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -309.091949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.091949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.091949 (E_RNA)
where:
Base-Base interactions energy: -207.727
where: short stacking energy: -95.278
Base-Backbone interact. energy: -0.272
local terms energy: -101.093000
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -16.636
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: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -312.430501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.430501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.430501 (E_RNA)
where:
Base-Base interactions energy: -198.944
where: short stacking energy: -91.112
Base-Backbone interact. energy: -1.599
local terms energy: -111.887953
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -17.445
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -275.014327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.014327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.014327 (E_RNA)
where:
Base-Base interactions energy: -172.827
where: short stacking energy: -78.001
Base-Backbone interact. energy: 1.310
local terms energy: -103.497388
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -282.128983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.128983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.128983 (E_RNA)
where:
Base-Base interactions energy: -178.610
where: short stacking energy: -79.242
Base-Backbone interact. energy: 0.588
local terms energy: -104.107079
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -26.145
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -249.431996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.431996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.431996 (E_RNA)
where:
Base-Base interactions energy: -150.220
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.185
local terms energy: -99.027171
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -244.965272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.965272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.965272 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.652
local terms energy: -85.000995
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -21.696
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -273.768951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.768951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.768951 (E_RNA)
where:
Base-Base interactions energy: -178.468
where: short stacking energy: -81.078
Base-Backbone interact. energy: 1.008
local terms energy: -96.309315
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -218.843665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843665 (E_RNA)
where:
Base-Base interactions energy: -133.275
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.417
local terms energy: -85.150888
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -13.479
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -195.670089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.670089 (E_RNA)
where:
Base-Base interactions energy: -107.576
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.357
local terms energy: -87.737582
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -360.735131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.735131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.735131 (E_RNA)
where:
Base-Base interactions energy: -249.530
where: short stacking energy: -95.590
Base-Backbone interact. energy: -0.088
local terms energy: -111.117229
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -23.185
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: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -296.459657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.459657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.459657 (E_RNA)
where:
Base-Base interactions energy: -194.590
where: short stacking energy: -90.269
Base-Backbone interact. energy: 0.179
local terms energy: -102.048938
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -13.393
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: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -318.251028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.251028 (E_RNA)
where:
Base-Base interactions energy: -214.528
where: short stacking energy: -94.809
Base-Backbone interact. energy: -0.502
local terms energy: -103.220959
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -286.492229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.492229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.492229 (E_RNA)
where:
Base-Base interactions energy: -190.350
where: short stacking energy: -71.235
Base-Backbone interact. energy: -0.202
local terms energy: -95.940267
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -267.498936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.498936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.498936 (E_RNA)
where:
Base-Base interactions energy: -176.199
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.377
local terms energy: -90.923158
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -17.738
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: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -267.704473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.704473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.704473 (E_RNA)
where:
Base-Base interactions energy: -177.164
where: short stacking energy: -85.162
Base-Backbone interact. energy: 0.102
local terms energy: -90.642769
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -260.883271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.883271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.883271 (E_RNA)
where:
Base-Base interactions energy: -168.136
where: short stacking energy: -76.133
Base-Backbone interact. energy: -0.182
local terms energy: -92.565427
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -249.914384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.914384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.914384 (E_RNA)
where:
Base-Base interactions energy: -157.349
where: short stacking energy: -73.206
Base-Backbone interact. energy: 0.062
local terms energy: -92.627363
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -241.446482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.446482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.446482 (E_RNA)
where:
Base-Base interactions energy: -151.944
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.211
local terms energy: -89.291730
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -195.335466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.335466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.335466 (E_RNA)
where:
Base-Base interactions energy: -118.507
where: short stacking energy: -61.093
Base-Backbone interact. energy: 1.269
local terms energy: -78.096597
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -8.872
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: 420
Temperature: 0.900000
Total energy: -363.567695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.567695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.567695 (E_RNA)
where:
Base-Base interactions energy: -250.917
where: short stacking energy: -101.989
Base-Backbone interact. energy: -3.147
local terms energy: -109.502811
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -26.592
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: 420
Temperature: 0.950000
Total energy: -303.783085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.783085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.783085 (E_RNA)
where:
Base-Base interactions energy: -190.260
where: short stacking energy: -92.100
Base-Backbone interact. energy: -0.797
local terms energy: -112.725100
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -18.458
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: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -341.034722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.034722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.034722 (E_RNA)
where:
Base-Base interactions energy: -236.015
where: short stacking energy: -96.416
Base-Backbone interact. energy: -0.927
local terms energy: -104.093313
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -281.807698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.807698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.807698 (E_RNA)
where:
Base-Base interactions energy: -186.165
where: short stacking energy: -96.175
Base-Backbone interact. energy: -0.118
local terms energy: -95.525334
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -25.361
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -274.365227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.365227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.365227 (E_RNA)
where:
Base-Base interactions energy: -171.184
where: short stacking energy: -84.597
Base-Backbone interact. energy: -0.386
local terms energy: -102.795211
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -26.314
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: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -309.097795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.097795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.097795 (E_RNA)
where:
Base-Base interactions energy: -205.746
where: short stacking energy: -91.017
Base-Backbone interact. energy: -0.634
local terms energy: -102.717226
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -16.306
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: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -250.503711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.503711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.503711 (E_RNA)
where:
Base-Base interactions energy: -154.241
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.299
local terms energy: -95.963812
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -18.832
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -243.174301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.174301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.174301 (E_RNA)
where:
Base-Base interactions energy: -158.328
where: short stacking energy: -67.621
Base-Backbone interact. energy: 0.055
local terms energy: -84.901391
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -237.360519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.360519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.360519 (E_RNA)
where:
Base-Base interactions energy: -156.686
where: short stacking energy: -68.398
Base-Backbone interact. energy: 1.462
local terms energy: -82.136568
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -189.763174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.763174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.763174 (E_RNA)
where:
Base-Base interactions energy: -101.008
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.301
local terms energy: -88.454701
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -11.158
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -369.685975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.685975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.685975 (E_RNA)
where:
Base-Base interactions energy: -254.912
where: short stacking energy: -102.479
Base-Backbone interact. energy: -0.374
local terms energy: -114.400238
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -25.950
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: 421
Temperature: 0.950000
Total energy: -348.795964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.795964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.795964 (E_RNA)
where:
Base-Base interactions energy: -230.370
where: short stacking energy: -101.360
Base-Backbone interact. energy: -0.137
local terms energy: -118.289277
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -29.502
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: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -308.312021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.312021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.312021 (E_RNA)
where:
Base-Base interactions energy: -200.427
where: short stacking energy: -106.222
Base-Backbone interact. energy: 0.315
local terms energy: -108.200612
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -305.578648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.578648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.578648 (E_RNA)
where:
Base-Base interactions energy: -194.367
where: short stacking energy: -91.618
Base-Backbone interact. energy: 0.643
local terms energy: -111.855072
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -13.157
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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -278.706531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.706531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.706531 (E_RNA)
where:
Base-Base interactions energy: -182.862
where: short stacking energy: -82.257
Base-Backbone interact. energy: -0.774
local terms energy: -95.070250
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -257.571131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.571131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.571131 (E_RNA)
where:
Base-Base interactions energy: -161.753
where: short stacking energy: -70.542
Base-Backbone interact. energy: 0.298
local terms energy: -96.116002
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -279.537264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.537264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.537264 (E_RNA)
where:
Base-Base interactions energy: -190.430
where: short stacking energy: -80.491
Base-Backbone interact. energy: 0.163
local terms energy: -89.270071
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -243.437993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.437993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.437993 (E_RNA)
where:
Base-Base interactions energy: -156.874
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.063
local terms energy: -86.500388
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -10.817
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: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -234.654148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.654148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654148 (E_RNA)
where:
Base-Base interactions energy: -151.036
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.129
local terms energy: -83.489571
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -188.602248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.602248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.602248 (E_RNA)
where:
Base-Base interactions energy: -110.006
where: short stacking energy: -48.896
Base-Backbone interact. energy: -0.612
local terms energy: -77.984515
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -350.974038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.974038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.974038 (E_RNA)
where:
Base-Base interactions energy: -237.098
where: short stacking energy: -101.170
Base-Backbone interact. energy: -1.723
local terms energy: -112.153225
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -29.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -365.983658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.983658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.983658 (E_RNA)
where:
Base-Base interactions energy: -255.386
where: short stacking energy: -105.577
Base-Backbone interact. energy: -0.378
local terms energy: -110.219128
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -24.931
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -313.224184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.224184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.224184 (E_RNA)
where:
Base-Base interactions energy: -203.608
where: short stacking energy: -89.940
Base-Backbone interact. energy: -0.401
local terms energy: -109.215500
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -297.862590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.862590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.862590 (E_RNA)
where:
Base-Base interactions energy: -196.971
where: short stacking energy: -101.216
Base-Backbone interact. energy: -0.600
local terms energy: -100.291611
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -26.083
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -293.099017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.099017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.099017 (E_RNA)
where:
Base-Base interactions energy: -192.877
where: short stacking energy: -99.732
Base-Backbone interact. energy: -0.351
local terms energy: -99.870290
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -253.936000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.936000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.936000 (E_RNA)
where:
Base-Base interactions energy: -152.816
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.679
local terms energy: -100.441744
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -254.760656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.760656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.760656 (E_RNA)
where:
Base-Base interactions energy: -162.209
where: short stacking energy: -72.648
Base-Backbone interact. energy: -1.140
local terms energy: -91.411651
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -7.887
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: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -273.983782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.983782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.983782 (E_RNA)
where:
Base-Base interactions energy: -174.026
where: short stacking energy: -84.606
Base-Backbone interact. energy: -0.800
local terms energy: -99.157314
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -239.106784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.106784 (E_RNA)
where:
Base-Base interactions energy: -147.491
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.208
local terms energy: -91.408197
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -210.778424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.778424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.778424 (E_RNA)
where:
Base-Base interactions energy: -125.976
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.166
local terms energy: -84.637196
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -354.471088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.471088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.471088 (E_RNA)
where:
Base-Base interactions energy: -240.915
where: short stacking energy: -89.368
Base-Backbone interact. energy: 2.077
local terms energy: -115.632607
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -30.695
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -359.899636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.899636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.899636 (E_RNA)
where:
Base-Base interactions energy: -251.176
where: short stacking energy: -101.728
Base-Backbone interact. energy: 1.542
local terms energy: -110.265101
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -308.643714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.643714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.643714 (E_RNA)
where:
Base-Base interactions energy: -201.069
where: short stacking energy: -83.783
Base-Backbone interact. energy: -0.997
local terms energy: -106.577872
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -289.846507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.846507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.846507 (E_RNA)
where:
Base-Base interactions energy: -195.656
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.922
local terms energy: -93.268804
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -18.535
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: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -274.962504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.962504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.962504 (E_RNA)
where:
Base-Base interactions energy: -172.036
where: short stacking energy: -71.310
Base-Backbone interact. energy: -1.034
local terms energy: -101.892429
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -251.519755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.519755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.519755 (E_RNA)
where:
Base-Base interactions energy: -162.468
where: short stacking energy: -79.960
Base-Backbone interact. energy: -0.195
local terms energy: -88.857411
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -9.157
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -266.985655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.985655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.985655 (E_RNA)
where:
Base-Base interactions energy: -182.980
where: short stacking energy: -86.598
Base-Backbone interact. energy: -0.423
local terms energy: -83.582584
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -13.616
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: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -267.287387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.287387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.287387 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -77.630
Base-Backbone interact. energy: 0.031
local terms energy: -78.945974
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -8.736
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: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -235.987659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.987659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.987659 (E_RNA)
where:
Base-Base interactions energy: -147.734
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.057
local terms energy: -88.196725
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -190.145372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.145372 (E_RNA)
where:
Base-Base interactions energy: -108.286
where: short stacking energy: -45.612
Base-Backbone interact. energy: -1.107
local terms energy: -80.752602
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -12.506
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: 424
Temperature: 0.900000
Total energy: -374.140932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.140932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.140932 (E_RNA)
where:
Base-Base interactions energy: -257.091
where: short stacking energy: -98.427
Base-Backbone interact. energy: -0.339
local terms energy: -116.710934
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -19.726
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: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -353.045894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.045894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.045894 (E_RNA)
where:
Base-Base interactions energy: -236.998
where: short stacking energy: -102.239
Base-Backbone interact. energy: -1.221
local terms energy: -114.827302
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -316.318591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.318591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.318591 (E_RNA)
where:
Base-Base interactions energy: -219.447
where: short stacking energy: -96.209
Base-Backbone interact. energy: -0.067
local terms energy: -96.804913
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -285.961471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.961471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.961471 (E_RNA)
where:
Base-Base interactions energy: -190.531
where: short stacking energy: -77.579
Base-Backbone interact. energy: -1.808
local terms energy: -93.622045
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -19.804
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: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -281.215542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.215542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.215542 (E_RNA)
where:
Base-Base interactions energy: -180.423
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.086
local terms energy: -100.705948
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -290.706811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.706811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.706811 (E_RNA)
where:
Base-Base interactions energy: -201.900
where: short stacking energy: -98.461
Base-Backbone interact. energy: 0.287
local terms energy: -89.093894
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -273.808597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.808597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.808597 (E_RNA)
where:
Base-Base interactions energy: -169.518
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.355
local terms energy: -103.935812
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -276.328944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.328944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.328944 (E_RNA)
where:
Base-Base interactions energy: -181.378
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.115
local terms energy: -94.836490
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -23.652
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: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -214.082369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.082369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.082369 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -68.586
Base-Backbone interact. energy: 1.026
local terms energy: -85.662055
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -9.723
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: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -206.921300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921300 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.129
local terms energy: -86.718765
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -362.721847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.721847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.721847 (E_RNA)
where:
Base-Base interactions energy: -250.830
where: short stacking energy: -96.293
Base-Backbone interact. energy: 0.217
local terms energy: -112.109059
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -334.206227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.206227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.206227 (E_RNA)
where:
Base-Base interactions energy: -219.697
where: short stacking energy: -95.733
Base-Backbone interact. energy: -0.265
local terms energy: -114.243893
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -16.429
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: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -306.714243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.714243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.714243 (E_RNA)
where:
Base-Base interactions energy: -201.876
where: short stacking energy: -93.329
Base-Backbone interact. energy: -0.373
local terms energy: -104.465277
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -292.645566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.645566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.645566 (E_RNA)
where:
Base-Base interactions energy: -184.961
where: short stacking energy: -92.423
Base-Backbone interact. energy: -0.175
local terms energy: -107.509949
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -20.603
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: 425
Temperature: 1.100000
Total energy: -253.173139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.173139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.173139 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.343
local terms energy: -92.913081
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -13.643
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: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -274.047519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.047519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.047519 (E_RNA)
where:
Base-Base interactions energy: -177.665
where: short stacking energy: -91.157
Base-Backbone interact. energy: -0.103
local terms energy: -96.278830
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -11.256
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -255.779977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.779977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.779977 (E_RNA)
where:
Base-Base interactions energy: -160.065
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.254
local terms energy: -95.460890
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -262.512275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.512275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.512275 (E_RNA)
where:
Base-Base interactions energy: -182.939
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.127
local terms energy: -79.446197
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -15.894
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: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -195.855889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.855889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.855889 (E_RNA)
where:
Base-Base interactions energy: -110.931
where: short stacking energy: -53.743
Base-Backbone interact. energy: 0.159
local terms energy: -85.084444
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -6.893
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: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -218.836126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.836126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.836126 (E_RNA)
where:
Base-Base interactions energy: -146.086
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.752
local terms energy: -71.998426
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -364.107357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.107357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.107357 (E_RNA)
where:
Base-Base interactions energy: -250.426
where: short stacking energy: -97.495
Base-Backbone interact. energy: -1.040
local terms energy: -112.641631
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -28.066
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -338.074732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.074732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.074732 (E_RNA)
where:
Base-Base interactions energy: -225.414
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.384
local terms energy: -112.276464
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -301.187757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.187757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.187757 (E_RNA)
where:
Base-Base interactions energy: -190.662
where: short stacking energy: -86.617
Base-Backbone interact. energy: -0.355
local terms energy: -110.171188
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -307.434171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.434171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.434171 (E_RNA)
where:
Base-Base interactions energy: -197.522
where: short stacking energy: -93.396
Base-Backbone interact. energy: -0.356
local terms energy: -109.555933
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -30.917
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -281.680547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.680547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.680547 (E_RNA)
where:
Base-Base interactions energy: -171.864
where: short stacking energy: -83.559
Base-Backbone interact. energy: 0.106
local terms energy: -109.921988
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -13.538
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: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -258.663414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.663414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.663414 (E_RNA)
where:
Base-Base interactions energy: -166.415
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.151
local terms energy: -92.097358
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -270.751980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.751980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.751980 (E_RNA)
where:
Base-Base interactions energy: -173.871
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.432
local terms energy: -96.449004
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -230.480370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.480370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.480370 (E_RNA)
where:
Base-Base interactions energy: -141.277
where: short stacking energy: -72.470
Base-Backbone interact. energy: -0.091
local terms energy: -89.112410
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -182.354215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.354215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.354215 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -55.555
Base-Backbone interact. energy: -0.501
local terms energy: -71.431350
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -203.624395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.624395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.624395 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.456
local terms energy: -72.874539
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -8.608
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: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -361.728613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.728613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.728613 (E_RNA)
where:
Base-Base interactions energy: -247.317
where: short stacking energy: -96.432
Base-Backbone interact. energy: -0.398
local terms energy: -114.013301
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -30.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -341.893947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.893947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.893947 (E_RNA)
where:
Base-Base interactions energy: -237.773
where: short stacking energy: -94.759
Base-Backbone interact. energy: -0.034
local terms energy: -104.087186
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -307.145999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.145999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.145999 (E_RNA)
where:
Base-Base interactions energy: -206.089
where: short stacking energy: -84.764
Base-Backbone interact. energy: -0.514
local terms energy: -100.543203
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -313.839220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.839220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.839220 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -95.782
Base-Backbone interact. energy: 0.401
local terms energy: -118.642925
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -28.581
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: 427
Temperature: 1.100000
Total energy: -289.485027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.485027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.485027 (E_RNA)
where:
Base-Base interactions energy: -194.879
where: short stacking energy: -84.642
Base-Backbone interact. energy: -0.669
local terms energy: -93.936846
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -260.524119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.524119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.524119 (E_RNA)
where:
Base-Base interactions energy: -164.297
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.157
local terms energy: -96.069303
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -22.429
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: 427
Temperature: 1.200000
Total energy: -266.463738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.463738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.463738 (E_RNA)
where:
Base-Base interactions energy: -174.324
where: short stacking energy: -69.628
Base-Backbone interact. energy: -0.163
local terms energy: -91.977002
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -225.972494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972494 (E_RNA)
where:
Base-Base interactions energy: -135.582
where: short stacking energy: -67.294
Base-Backbone interact. energy: -0.317
local terms energy: -90.073666
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -215.410859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410859 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -61.362
Base-Backbone interact. energy: 0.103
local terms energy: -79.613264
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -200.988176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.988176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988176 (E_RNA)
where:
Base-Base interactions energy: -133.788
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.518
local terms energy: -66.682376
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -367.805438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.805438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.805438 (E_RNA)
where:
Base-Base interactions energy: -245.299
where: short stacking energy: -106.999
Base-Backbone interact. energy: 0.533
local terms energy: -123.039194
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -20.130
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: 428
Temperature: 0.950000
Total energy: -342.150532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.150532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.150532 (E_RNA)
where:
Base-Base interactions energy: -225.971
where: short stacking energy: -99.409
Base-Backbone interact. energy: 0.807
local terms energy: -116.986915
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -307.094581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.094581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.094581 (E_RNA)
where:
Base-Base interactions energy: -200.454
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.343
local terms energy: -106.296728
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -15.723
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: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -287.972665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.972665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.972665 (E_RNA)
where:
Base-Base interactions energy: -189.964
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.140
local terms energy: -97.868981
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -17.360
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: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -286.061650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.061650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.061650 (E_RNA)
where:
Base-Base interactions energy: -183.810
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.863
local terms energy: -101.388365
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -18.007
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: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -263.959776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.959776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.959776 (E_RNA)
where:
Base-Base interactions energy: -180.574
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.733
local terms energy: -82.652487
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -16.987
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: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -264.089515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.089515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.089515 (E_RNA)
where:
Base-Base interactions energy: -166.451
where: short stacking energy: -81.244
Base-Backbone interact. energy: -0.082
local terms energy: -97.556921
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -244.048011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.048011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.048011 (E_RNA)
where:
Base-Base interactions energy: -162.241
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.121
local terms energy: -81.686490
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.531
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: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -200.007451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.007451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.007451 (E_RNA)
where:
Base-Base interactions energy: -127.439
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.021
local terms energy: -72.547134
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -183.997940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.997940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.997940 (E_RNA)
where:
Base-Base interactions energy: -114.650
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.341
local terms energy: -69.006743
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -365.540794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.540794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.540794 (E_RNA)
where:
Base-Base interactions energy: -254.961
where: short stacking energy: -113.771
Base-Backbone interact. energy: -0.815
local terms energy: -109.765485
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -27.233
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -29.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -348.080903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.080903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.080903 (E_RNA)
where:
Base-Base interactions energy: -233.264
where: short stacking energy: -101.652
Base-Backbone interact. energy: -0.494
local terms energy: -114.322988
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -299.886957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.886957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.886957 (E_RNA)
where:
Base-Base interactions energy: -191.632
where: short stacking energy: -93.841
Base-Backbone interact. energy: -0.253
local terms energy: -108.001750
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -16.939
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: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -276.685536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.685536 (E_RNA)
where:
Base-Base interactions energy: -180.816
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.381
local terms energy: -95.488580
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -280.454810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.454810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.454810 (E_RNA)
where:
Base-Base interactions energy: -182.862
where: short stacking energy: -82.525
Base-Backbone interact. energy: -0.150
local terms energy: -97.442769
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -11.377
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: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -277.402778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.402778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.402778 (E_RNA)
where:
Base-Base interactions energy: -184.279
where: short stacking energy: -77.464
Base-Backbone interact. energy: -0.046
local terms energy: -93.077978
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -20.160
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: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -259.513505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.513505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.513505 (E_RNA)
where:
Base-Base interactions energy: -170.946
where: short stacking energy: -73.095
Base-Backbone interact. energy: 0.159
local terms energy: -88.725890
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -13.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -235.933557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.933557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.933557 (E_RNA)
where:
Base-Base interactions energy: -146.753
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.644
local terms energy: -88.536157
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.259
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: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -193.944816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944816 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.768
local terms energy: -82.327321
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.625
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -193.279336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.279336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.279336 (E_RNA)
where:
Base-Base interactions energy: -111.308
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.033
local terms energy: -81.938269
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -7.801
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: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -341.754695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.754695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.754695 (E_RNA)
where:
Base-Base interactions energy: -236.499
where: short stacking energy: -104.654
Base-Backbone interact. energy: -0.308
local terms energy: -104.947690
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -29.255
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: 430
Temperature: 0.950000
Total energy: -345.061070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.061070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.061070 (E_RNA)
where:
Base-Base interactions energy: -233.840
where: short stacking energy: -101.239
Base-Backbone interact. energy: -0.910
local terms energy: -110.311256
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -297.690174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.690174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.690174 (E_RNA)
where:
Base-Base interactions energy: -203.075
where: short stacking energy: -98.695
Base-Backbone interact. energy: -0.023
local terms energy: -94.592890
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -10.350
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: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -292.188622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.188622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.188622 (E_RNA)
where:
Base-Base interactions energy: -188.480
where: short stacking energy: -91.947
Base-Backbone interact. energy: -0.127
local terms energy: -103.581273
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -298.986038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.986038 (E_RNA)
where:
Base-Base interactions energy: -192.991
where: short stacking energy: -90.104
Base-Backbone interact. energy: -0.130
local terms energy: -105.864996
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -23.990
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: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -261.469776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.469776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.469776 (E_RNA)
where:
Base-Base interactions energy: -162.419
where: short stacking energy: -79.296
Base-Backbone interact. energy: -0.024
local terms energy: -99.026526
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -17.401
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: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -250.742398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.742398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.742398 (E_RNA)
where:
Base-Base interactions energy: -163.278
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.218
local terms energy: -87.246543
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -242.580767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.580767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.580767 (E_RNA)
where:
Base-Base interactions energy: -154.401
where: short stacking energy: -67.856
Base-Backbone interact. energy: 1.658
local terms energy: -89.838451
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -225.196979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.196979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.196979 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.305
local terms energy: -94.836444
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -183.555539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.555539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.555539 (E_RNA)
where:
Base-Base interactions energy: -110.275
where: short stacking energy: -51.851
Base-Backbone interact. energy: 2.360
local terms energy: -75.640571
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -351.781878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.781878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.781878 (E_RNA)
where:
Base-Base interactions energy: -239.207
where: short stacking energy: -101.320
Base-Backbone interact. energy: -0.698
local terms energy: -111.876397
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -342.474320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.474320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.474320 (E_RNA)
where:
Base-Base interactions energy: -226.836
where: short stacking energy: -97.257
Base-Backbone interact. energy: -0.467
local terms energy: -115.170761
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -28.190
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -297.430970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.430970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.430970 (E_RNA)
where:
Base-Base interactions energy: -194.682
where: short stacking energy: -85.078
Base-Backbone interact. energy: -0.338
local terms energy: -102.410603
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -15.446
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: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -300.411714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.411714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.411714 (E_RNA)
where:
Base-Base interactions energy: -193.944
where: short stacking energy: -93.141
Base-Backbone interact. energy: -0.013
local terms energy: -106.454913
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -16.573
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -287.529475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.529475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.529475 (E_RNA)
where:
Base-Base interactions energy: -186.198
where: short stacking energy: -97.243
Base-Backbone interact. energy: -0.040
local terms energy: -101.291504
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -26.030
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -253.639393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.639393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.639393 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.332
local terms energy: -95.885344
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -249.075378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.075378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.075378 (E_RNA)
where:
Base-Base interactions energy: -156.855
where: short stacking energy: -78.681
Base-Backbone interact. energy: -0.112
local terms energy: -92.108301
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -252.853484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.853484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.853484 (E_RNA)
where:
Base-Base interactions energy: -158.506
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.408
local terms energy: -93.939269
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -206.735832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735832 (E_RNA)
where:
Base-Base interactions energy: -116.244
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.041
local terms energy: -90.451609
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -180.005808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.005808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.005808 (E_RNA)
where:
Base-Base interactions energy: -112.523
where: short stacking energy: -58.412
Base-Backbone interact. energy: -0.708
local terms energy: -66.774774
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -12.778
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -364.183593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.183593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.183593 (E_RNA)
where:
Base-Base interactions energy: -252.847
where: short stacking energy: -108.410
Base-Backbone interact. energy: -1.563
local terms energy: -109.773672
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -345.713345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.713345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.713345 (E_RNA)
where:
Base-Base interactions energy: -224.854
where: short stacking energy: -99.910
Base-Backbone interact. energy: -0.542
local terms energy: -120.317477
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -16.996
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: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -307.387096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.387096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.387096 (E_RNA)
where:
Base-Base interactions energy: -211.313
where: short stacking energy: -93.938
Base-Backbone interact. energy: -0.293
local terms energy: -95.781154
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -23.648
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: 432
Temperature: 1.050000
Total energy: -292.421361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.421361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.421361 (E_RNA)
where:
Base-Base interactions energy: -191.785
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.033
local terms energy: -100.603123
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -269.883675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.883675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.883675 (E_RNA)
where:
Base-Base interactions energy: -167.600
where: short stacking energy: -81.099
Base-Backbone interact. energy: -0.283
local terms energy: -102.000309
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -264.586813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.586813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.586813 (E_RNA)
where:
Base-Base interactions energy: -175.793
where: short stacking energy: -73.345
Base-Backbone interact. energy: 0.143
local terms energy: -88.936793
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -21.829
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: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -265.923235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.923235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.923235 (E_RNA)
where:
Base-Base interactions energy: -176.861
where: short stacking energy: -89.289
Base-Backbone interact. energy: -0.212
local terms energy: -88.849869
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -249.486861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.486861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.486861 (E_RNA)
where:
Base-Base interactions energy: -161.103
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.101
local terms energy: -88.282759
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -11.600
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: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -231.924523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.924523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.924523 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.287
local terms energy: -84.432045
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -18.522
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -205.261730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261730 (E_RNA)
where:
Base-Base interactions energy: -124.784
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.347
local terms energy: -80.130101
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -343.815962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.815962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.815962 (E_RNA)
where:
Base-Base interactions energy: -230.644
where: short stacking energy: -94.320
Base-Backbone interact. energy: -0.738
local terms energy: -112.434283
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -24.532
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -341.371692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.371692 (E_RNA)
where:
Base-Base interactions energy: -229.369
where: short stacking energy: -100.024
Base-Backbone interact. energy: 1.833
local terms energy: -113.835914
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -25.646
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -320.272172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.272172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.272172 (E_RNA)
where:
Base-Base interactions energy: -219.428
where: short stacking energy: -91.946
Base-Backbone interact. energy: -0.190
local terms energy: -100.654549
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -21.272
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: 433
Temperature: 1.050000
Total energy: -283.393695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.393695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.393695 (E_RNA)
where:
Base-Base interactions energy: -182.603
where: short stacking energy: -82.302
Base-Backbone interact. energy: -0.343
local terms energy: -100.447886
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -19.983
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: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -259.501918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.501918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.501918 (E_RNA)
where:
Base-Base interactions energy: -161.716
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.081
local terms energy: -97.705683
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -276.231944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.231944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.231944 (E_RNA)
where:
Base-Base interactions energy: -179.975
where: short stacking energy: -77.714
Base-Backbone interact. energy: -0.198
local terms energy: -96.059230
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -243.167682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.167682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.167682 (E_RNA)
where:
Base-Base interactions energy: -156.227
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.161
local terms energy: -86.780306
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -222.593917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.593917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.593917 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.727
local terms energy: -80.742006
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -230.093726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.093726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.093726 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.246
local terms energy: -82.825189
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -188.898361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898361 (E_RNA)
where:
Base-Base interactions energy: -104.520
where: short stacking energy: -51.326
Base-Backbone interact. energy: -0.695
local terms energy: -83.683183
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -10.863
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: 434
Temperature: 0.900000
Total energy: -351.286149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.286149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.286149 (E_RNA)
where:
Base-Base interactions energy: -238.356
where: short stacking energy: -99.165
Base-Backbone interact. energy: -0.991
local terms energy: -111.938593
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -23.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -347.212412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.212412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.212412 (E_RNA)
where:
Base-Base interactions energy: -235.813
where: short stacking energy: -89.067
Base-Backbone interact. energy: -1.283
local terms energy: -110.116918
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -295.211793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.211793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.211793 (E_RNA)
where:
Base-Base interactions energy: -182.257
where: short stacking energy: -83.909
Base-Backbone interact. energy: -1.391
local terms energy: -111.563914
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -22.954
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -296.194149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.194149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.194149 (E_RNA)
where:
Base-Base interactions energy: -198.049
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.654
local terms energy: -97.491909
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -12.017
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: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -293.259398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.259398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.259398 (E_RNA)
where:
Base-Base interactions energy: -194.374
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.745
local terms energy: -98.139935
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -16.438
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: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -267.807861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.807861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.807861 (E_RNA)
where:
Base-Base interactions energy: -167.585
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.344
local terms energy: -99.879040
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -257.298524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.298524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.298524 (E_RNA)
where:
Base-Base interactions energy: -166.923
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.071
local terms energy: -90.304703
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -225.632990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.632990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632990 (E_RNA)
where:
Base-Base interactions energy: -142.136
where: short stacking energy: -63.856
Base-Backbone interact. energy: -1.147
local terms energy: -82.350208
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -198.198291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.198291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.198291 (E_RNA)
where:
Base-Base interactions energy: -119.511
where: short stacking energy: -57.096
Base-Backbone interact. energy: -1.095
local terms energy: -77.591918
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -212.085522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.085522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.085522 (E_RNA)
where:
Base-Base interactions energy: -123.415
where: short stacking energy: -61.843
Base-Backbone interact. energy: 0.770
local terms energy: -89.441053
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -353.653187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.653187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.653187 (E_RNA)
where:
Base-Base interactions energy: -250.888
where: short stacking energy: -91.401
Base-Backbone interact. energy: -0.573
local terms energy: -102.191961
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -318.261823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.261823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.261823 (E_RNA)
where:
Base-Base interactions energy: -221.232
where: short stacking energy: -102.565
Base-Backbone interact. energy: -0.648
local terms energy: -96.381937
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -26.734
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -328.676285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.676285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.676285 (E_RNA)
where:
Base-Base interactions energy: -220.805
where: short stacking energy: -84.169
Base-Backbone interact. energy: -0.235
local terms energy: -107.636408
where:
bonds (distance) C4'-P energy: -20.594
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -23.258
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: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -291.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.676302 (E_RNA)
where:
Base-Base interactions energy: -192.400
where: short stacking energy: -80.725
Base-Backbone interact. energy: -1.081
local terms energy: -98.195235
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -19.735
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: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -269.050001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.050001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.050001 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -87.725
Base-Backbone interact. energy: -0.484
local terms energy: -96.357818
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -10.703
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: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -275.463754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.463754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.463754 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -89.020
Base-Backbone interact. energy: -1.037
local terms energy: -95.300443
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -22.048
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: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -250.815710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.815710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.815710 (E_RNA)
where:
Base-Base interactions energy: -162.006
where: short stacking energy: -67.520
Base-Backbone interact. energy: -0.872
local terms energy: -87.937997
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -15.894
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -205.510643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.510643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.510643 (E_RNA)
where:
Base-Base interactions energy: -124.102
where: short stacking energy: -56.717
Base-Backbone interact. energy: 0.198
local terms energy: -81.606377
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -197.298362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.298362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.298362 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -47.720
Base-Backbone interact. energy: 2.202
local terms energy: -84.008413
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -223.356253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.356253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.356253 (E_RNA)
where:
Base-Base interactions energy: -153.136
where: short stacking energy: -64.337
Base-Backbone interact. energy: 2.664
local terms energy: -72.884473
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -342.607775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.607775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.607775 (E_RNA)
where:
Base-Base interactions energy: -232.296
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.494
local terms energy: -109.818390
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -14.108
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: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -346.240586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.240586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.240586 (E_RNA)
where:
Base-Base interactions energy: -224.505
where: short stacking energy: -101.784
Base-Backbone interact. energy: 0.065
local terms energy: -121.800966
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -30.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -341.925359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.925359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.925359 (E_RNA)
where:
Base-Base interactions energy: -227.768
where: short stacking energy: -103.283
Base-Backbone interact. energy: -1.476
local terms energy: -112.680986
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -27.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -290.304488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.304488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.304488 (E_RNA)
where:
Base-Base interactions energy: -182.045
where: short stacking energy: -94.200
Base-Backbone interact. energy: -0.016
local terms energy: -108.242741
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -30.652
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: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -294.412751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.412751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.412751 (E_RNA)
where:
Base-Base interactions energy: -188.192
where: short stacking energy: -84.633
Base-Backbone interact. energy: -0.514
local terms energy: -105.706901
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -14.722
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: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -257.787343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.787343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.787343 (E_RNA)
where:
Base-Base interactions energy: -169.163
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.225
local terms energy: -88.398767
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -28.095
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -258.564104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.564104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.564104 (E_RNA)
where:
Base-Base interactions energy: -168.258
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.548
local terms energy: -89.757819
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -12.619
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: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -210.331492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.331492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.331492 (E_RNA)
where:
Base-Base interactions energy: -119.099
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.097
local terms energy: -91.136180
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -201.316367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.316367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.316367 (E_RNA)
where:
Base-Base interactions energy: -128.868
where: short stacking energy: -53.391
Base-Backbone interact. energy: -0.834
local terms energy: -71.614079
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -203.738116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.738116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.738116 (E_RNA)
where:
Base-Base interactions energy: -121.643
where: short stacking energy: -56.605
Base-Backbone interact. energy: -1.598
local terms energy: -80.497144
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -339.684226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.684226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.684226 (E_RNA)
where:
Base-Base interactions energy: -221.230
where: short stacking energy: -87.625
Base-Backbone interact. energy: -0.755
local terms energy: -117.699061
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -27.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -341.389059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.389059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.389059 (E_RNA)
where:
Base-Base interactions energy: -228.666
where: short stacking energy: -99.120
Base-Backbone interact. energy: -0.529
local terms energy: -112.193614
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -25.483
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: 437
Temperature: 1.000000
Total energy: -343.211732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.211732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.211732 (E_RNA)
where:
Base-Base interactions energy: -233.885
where: short stacking energy: -106.103
Base-Backbone interact. energy: -0.068
local terms energy: -109.258409
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -28.930
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: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -296.055031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.055031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.055031 (E_RNA)
where:
Base-Base interactions energy: -190.915
where: short stacking energy: -83.407
Base-Backbone interact. energy: -0.131
local terms energy: -105.009224
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -10.651
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: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -276.522638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.522638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.522638 (E_RNA)
where:
Base-Base interactions energy: -180.174
where: short stacking energy: -81.266
Base-Backbone interact. energy: -0.684
local terms energy: -95.665050
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.069
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -252.645368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.645368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.645368 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.207
local terms energy: -91.893906
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -260.351736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.351736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.351736 (E_RNA)
where:
Base-Base interactions energy: -152.170
where: short stacking energy: -70.494
Base-Backbone interact. energy: -1.188
local terms energy: -106.994114
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -14.622
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: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -222.947715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.947715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.947715 (E_RNA)
where:
Base-Base interactions energy: -133.739
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.473
local terms energy: -88.735294
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -192.779108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.779108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.779108 (E_RNA)
where:
Base-Base interactions energy: -106.970
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.212
local terms energy: -85.596620
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -222.257495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.257495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.257495 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -53.714
Base-Backbone interact. energy: -0.348
local terms energy: -89.473789
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -325.128946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.128946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.128946 (E_RNA)
where:
Base-Base interactions energy: -211.890
where: short stacking energy: -98.867
Base-Backbone interact. energy: -0.192
local terms energy: -113.046257
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -336.233580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.233580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.233580 (E_RNA)
where:
Base-Base interactions energy: -220.085
where: short stacking energy: -95.919
Base-Backbone interact. energy: -0.177
local terms energy: -115.972066
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -26.092
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: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -339.220668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.220668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.220668 (E_RNA)
where:
Base-Base interactions energy: -224.662
where: short stacking energy: -101.396
Base-Backbone interact. energy: -0.967
local terms energy: -113.591512
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -280.412889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.412889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.412889 (E_RNA)
where:
Base-Base interactions energy: -183.224
where: short stacking energy: -89.130
Base-Backbone interact. energy: 1.634
local terms energy: -98.823701
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -284.111399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.111399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.111399 (E_RNA)
where:
Base-Base interactions energy: -180.255
where: short stacking energy: -84.201
Base-Backbone interact. energy: -0.698
local terms energy: -103.158146
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -17.029
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: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -266.554158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.554158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.554158 (E_RNA)
where:
Base-Base interactions energy: -171.825
where: short stacking energy: -81.120
Base-Backbone interact. energy: -0.129
local terms energy: -94.599555
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -19.150
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -240.363919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.363919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.363919 (E_RNA)
where:
Base-Base interactions energy: -162.946
where: short stacking energy: -79.379
Base-Backbone interact. energy: -0.201
local terms energy: -77.217059
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -204.729396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.729396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.729396 (E_RNA)
where:
Base-Base interactions energy: -120.714
where: short stacking energy: -56.701
Base-Backbone interact. energy: 0.138
local terms energy: -84.153906
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -206.266740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.266740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.266740 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -56.594
Base-Backbone interact. energy: 0.140
local terms energy: -79.842010
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -10.974
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: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -194.932364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.932364 (E_RNA)
where:
Base-Base interactions energy: -110.732
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.026
local terms energy: -84.174191
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -333.739162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.739162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.739162 (E_RNA)
where:
Base-Base interactions energy: -222.806
where: short stacking energy: -101.245
Base-Backbone interact. energy: -0.106
local terms energy: -110.827510
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -30.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -335.001039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.001039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.001039 (E_RNA)
where:
Base-Base interactions energy: -230.483
where: short stacking energy: -95.938
Base-Backbone interact. energy: -0.121
local terms energy: -104.396981
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -339.720883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.720883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.720883 (E_RNA)
where:
Base-Base interactions energy: -228.253
where: short stacking energy: -103.064
Base-Backbone interact. energy: -0.492
local terms energy: -110.976045
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -282.141821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.141821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.141821 (E_RNA)
where:
Base-Base interactions energy: -181.333
where: short stacking energy: -92.722
Base-Backbone interact. energy: -0.124
local terms energy: -100.684904
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -12.828
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: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -260.951764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.951764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.951764 (E_RNA)
where:
Base-Base interactions energy: -169.380
where: short stacking energy: -77.370
Base-Backbone interact. energy: -0.528
local terms energy: -91.043867
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -276.734886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.734886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.734886 (E_RNA)
where:
Base-Base interactions energy: -188.099
where: short stacking energy: -86.299
Base-Backbone interact. energy: 1.679
local terms energy: -90.314890
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -272.468736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.468736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.468736 (E_RNA)
where:
Base-Base interactions energy: -175.350
where: short stacking energy: -83.617
Base-Backbone interact. energy: -0.124
local terms energy: -96.994802
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -236.560223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.560223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.560223 (E_RNA)
where:
Base-Base interactions energy: -149.866
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.189
local terms energy: -86.505003
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -14.196
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: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -233.182637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.182637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.182637 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -67.483
Base-Backbone interact. energy: 0.059
local terms energy: -83.247534
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -219.711956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711956 (E_RNA)
where:
Base-Base interactions energy: -135.995
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.338
local terms energy: -83.379176
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -9.158
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -349.344888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.344888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.344888 (E_RNA)
where:
Base-Base interactions energy: -236.842
where: short stacking energy: -95.882
Base-Backbone interact. energy: -0.866
local terms energy: -111.637115
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -25.837
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: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -323.590725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.590725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.590725 (E_RNA)
where:
Base-Base interactions energy: -217.139
where: short stacking energy: -107.419
Base-Backbone interact. energy: -0.009
local terms energy: -106.442047
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -25.503
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -298.129547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.129547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.129547 (E_RNA)
where:
Base-Base interactions energy: -180.493
where: short stacking energy: -92.161
Base-Backbone interact. energy: -1.264
local terms energy: -116.372584
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -27.258
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -335.945497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.945497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.945497 (E_RNA)
where:
Base-Base interactions energy: -233.190
where: short stacking energy: -94.428
Base-Backbone interact. energy: -0.238
local terms energy: -102.518202
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -29.307
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: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -272.306396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.306396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.306396 (E_RNA)
where:
Base-Base interactions energy: -171.841
where: short stacking energy: -82.284
Base-Backbone interact. energy: -0.942
local terms energy: -99.523328
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -20.713
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: 440
Temperature: 1.150000
Total energy: -260.835782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.835782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.835782 (E_RNA)
where:
Base-Base interactions energy: -170.339
where: short stacking energy: -74.917
Base-Backbone interact. energy: 1.174
local terms energy: -91.671205
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -258.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.672102 (E_RNA)
where:
Base-Base interactions energy: -167.294
where: short stacking energy: -74.313
Base-Backbone interact. energy: -0.089
local terms energy: -91.289019
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -202.642482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.642482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.642482 (E_RNA)
where:
Base-Base interactions energy: -122.939
where: short stacking energy: -69.127
Base-Backbone interact. energy: -1.144
local terms energy: -78.559996
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -13.352
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: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -247.613315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.613315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.613315 (E_RNA)
where:
Base-Base interactions energy: -150.459
where: short stacking energy: -66.520
Base-Backbone interact. energy: 2.532
local terms energy: -99.686433
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -19.005
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: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -107.734912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.734912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.734912 (E_RNA)
where:
Base-Base interactions energy: -37.212
where: short stacking energy: -29.160
Base-Backbone interact. energy: -0.643
local terms energy: -69.880028
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: 5.747
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: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -341.281308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.281308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.281308 (E_RNA)
where:
Base-Base interactions energy: -231.794
where: short stacking energy: -95.145
Base-Backbone interact. energy: 1.444
local terms energy: -110.931804
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -314.646030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.646030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.646030 (E_RNA)
where:
Base-Base interactions energy: -208.836
where: short stacking energy: -91.084
Base-Backbone interact. energy: -0.394
local terms energy: -105.416568
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -325.772080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.772080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.772080 (E_RNA)
where:
Base-Base interactions energy: -223.353
where: short stacking energy: -98.071
Base-Backbone interact. energy: -0.090
local terms energy: -102.328984
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -24.565
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: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -319.840971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.840971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.840971 (E_RNA)
where:
Base-Base interactions energy: -228.241
where: short stacking energy: -79.378
Base-Backbone interact. energy: -0.560
local terms energy: -91.039013
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -271.540595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.540595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.540595 (E_RNA)
where:
Base-Base interactions energy: -178.239
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.751
local terms energy: -92.550263
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -266.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.137465 (E_RNA)
where:
Base-Base interactions energy: -169.985
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.164
local terms energy: -95.987778
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -255.067967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.067967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.067967 (E_RNA)
where:
Base-Base interactions energy: -170.859
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.069
local terms energy: -84.139995
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -245.060211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.060211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.060211 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.952
local terms energy: -84.494542
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -202.124603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.124603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.124603 (E_RNA)
where:
Base-Base interactions energy: -122.784
where: short stacking energy: -54.195
Base-Backbone interact. energy: 0.904
local terms energy: -80.244833
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -114.055623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.055623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.055623 (E_RNA)
where:
Base-Base interactions energy: -50.890
where: short stacking energy: -49.388
Base-Backbone interact. energy: -0.217
local terms energy: -62.948568
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -355.742937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.742937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.742937 (E_RNA)
where:
Base-Base interactions energy: -245.259
where: short stacking energy: -107.262
Base-Backbone interact. energy: -0.305
local terms energy: -110.178341
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -315.040992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.040992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.040992 (E_RNA)
where:
Base-Base interactions energy: -211.479
where: short stacking energy: -89.107
Base-Backbone interact. energy: 0.293
local terms energy: -103.854717
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -330.998963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.998963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.998963 (E_RNA)
where:
Base-Base interactions energy: -219.976
where: short stacking energy: -87.563
Base-Backbone interact. energy: -0.119
local terms energy: -110.903143
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -307.608401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.608401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.608401 (E_RNA)
where:
Base-Base interactions energy: -218.341
where: short stacking energy: -81.707
Base-Backbone interact. energy: 1.128
local terms energy: -90.395461
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -267.333016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.333016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.333016 (E_RNA)
where:
Base-Base interactions energy: -174.552
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.083
local terms energy: -92.697980
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -16.220
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: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -263.805716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.805716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.805716 (E_RNA)
where:
Base-Base interactions energy: -168.371
where: short stacking energy: -79.172
Base-Backbone interact. energy: -0.043
local terms energy: -95.391505
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -251.442720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.442720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.442720 (E_RNA)
where:
Base-Base interactions energy: -163.142
where: short stacking energy: -77.652
Base-Backbone interact. energy: -0.124
local terms energy: -88.176882
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -14.214
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: 442
Temperature: 1.250000
Total energy: -230.523908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.523908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.523908 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -66.264
Base-Backbone interact. energy: -0.107
local terms energy: -89.401306
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -11.838
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: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -206.247379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.247379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.247379 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -53.249
Base-Backbone interact. energy: 0.825
local terms energy: -82.555113
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -8.355
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: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -118.100587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.100587 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -35.959
Base-Backbone interact. energy: 1.850
local terms energy: -76.495838
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -364.002096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.002096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.002096 (E_RNA)
where:
Base-Base interactions energy: -241.902
where: short stacking energy: -102.891
Base-Backbone interact. energy: -0.497
local terms energy: -121.603491
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -25.400
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -330.648780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.648780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.648780 (E_RNA)
where:
Base-Base interactions energy: -215.191
where: short stacking energy: -91.053
Base-Backbone interact. energy: -1.522
local terms energy: -113.936314
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -20.773
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: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -312.387195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.387195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.387195 (E_RNA)
where:
Base-Base interactions energy: -198.184
where: short stacking energy: -94.968
Base-Backbone interact. energy: -0.582
local terms energy: -113.620662
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -319.444240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.444240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.444240 (E_RNA)
where:
Base-Base interactions energy: -227.081
where: short stacking energy: -89.616
Base-Backbone interact. energy: -0.406
local terms energy: -91.957016
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -259.262272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.262272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.262272 (E_RNA)
where:
Base-Base interactions energy: -172.956
where: short stacking energy: -84.908
Base-Backbone interact. energy: -0.013
local terms energy: -86.293107
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -253.783272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.783272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.783272 (E_RNA)
where:
Base-Base interactions energy: -155.548
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.173
local terms energy: -98.063233
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -261.424364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.424364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.424364 (E_RNA)
where:
Base-Base interactions energy: -167.983
where: short stacking energy: -77.429
Base-Backbone interact. energy: -0.280
local terms energy: -93.160844
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -26.995
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: 443
Temperature: 1.250000
Total energy: -211.873120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873120 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -49.905
Base-Backbone interact. energy: -1.115
local terms energy: -83.689906
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -201.367246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.367246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.367246 (E_RNA)
where:
Base-Base interactions energy: -135.244
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.198
local terms energy: -65.925000
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -127.410131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.410131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.410131 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -42.272
Base-Backbone interact. energy: -0.194
local terms energy: -79.687502
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -354.284578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.284578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.284578 (E_RNA)
where:
Base-Base interactions energy: -231.065
where: short stacking energy: -103.689
Base-Backbone interact. energy: -0.097
local terms energy: -123.123256
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -20.094
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -337.003416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.003416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.003416 (E_RNA)
where:
Base-Base interactions energy: -228.657
where: short stacking energy: -96.808
Base-Backbone interact. energy: 0.148
local terms energy: -108.493554
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -28.113
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: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -331.966005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.966005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.966005 (E_RNA)
where:
Base-Base interactions energy: -219.690
where: short stacking energy: -108.725
Base-Backbone interact. energy: -0.184
local terms energy: -112.091131
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -29.543
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: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -293.373427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.373427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.373427 (E_RNA)
where:
Base-Base interactions energy: -193.665
where: short stacking energy: -85.612
Base-Backbone interact. energy: -0.983
local terms energy: -98.725161
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -20.644
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: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -281.014676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.014676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.014676 (E_RNA)
where:
Base-Base interactions energy: -174.280
where: short stacking energy: -81.768
Base-Backbone interact. energy: 1.214
local terms energy: -107.948710
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -259.484561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.484561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.484561 (E_RNA)
where:
Base-Base interactions energy: -158.859
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.658
local terms energy: -99.967467
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -19.812
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: 444
Temperature: 1.200000
Total energy: -232.128408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.128408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.128408 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.355
local terms energy: -88.045916
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -266.300081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.300081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.300081 (E_RNA)
where:
Base-Base interactions energy: -181.246
where: short stacking energy: -90.006
Base-Backbone interact. energy: -0.348
local terms energy: -84.706587
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -13.232
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: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -205.292934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.292934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.292934 (E_RNA)
where:
Base-Base interactions energy: -127.413
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.076
local terms energy: -77.804193
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -3.591
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: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -105.063951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.063951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.063951 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -29.384
Base-Backbone interact. energy: -0.470
local terms energy: -71.714418
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -356.195933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.195933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.195933 (E_RNA)
where:
Base-Base interactions energy: -239.683
where: short stacking energy: -110.999
Base-Backbone interact. energy: -0.139
local terms energy: -116.374294
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -353.975118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.975118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.975118 (E_RNA)
where:
Base-Base interactions energy: -240.993
where: short stacking energy: -89.146
Base-Backbone interact. energy: -0.254
local terms energy: -112.728440
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -25.583
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: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -320.573980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.573980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.573980 (E_RNA)
where:
Base-Base interactions energy: -218.811
where: short stacking energy: -101.147
Base-Backbone interact. energy: -0.165
local terms energy: -101.597724
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -286.426793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.426793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.426793 (E_RNA)
where:
Base-Base interactions energy: -190.591
where: short stacking energy: -87.932
Base-Backbone interact. energy: -0.121
local terms energy: -95.714691
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -16.002
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: 445
Temperature: 1.100000
Total energy: -291.782447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.782447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.782447 (E_RNA)
where:
Base-Base interactions energy: -185.961
where: short stacking energy: -79.770
Base-Backbone interact. energy: -0.679
local terms energy: -105.142785
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -266.963949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.963949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.963949 (E_RNA)
where:
Base-Base interactions energy: -165.282
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.136
local terms energy: -101.546346
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -24.087
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: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -246.990048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.990048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.990048 (E_RNA)
where:
Base-Base interactions energy: -146.793
where: short stacking energy: -70.805
Base-Backbone interact. energy: 0.220
local terms energy: -100.417301
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -19.527
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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -241.894183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.894183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.894183 (E_RNA)
where:
Base-Base interactions energy: -156.839
where: short stacking energy: -73.766
Base-Backbone interact. energy: -1.124
local terms energy: -83.931992
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -12.156
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: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -206.496336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.496336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.496336 (E_RNA)
where:
Base-Base interactions energy: -117.034
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.556
local terms energy: -88.906090
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -104.918186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918186 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -22.930
Base-Backbone interact. energy: -1.326
local terms energy: -65.937381
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -358.009277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.009277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.009277 (E_RNA)
where:
Base-Base interactions energy: -245.603
where: short stacking energy: -95.872
Base-Backbone interact. energy: -1.138
local terms energy: -111.267648
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -29.321
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: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -348.590981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.590981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.590981 (E_RNA)
where:
Base-Base interactions energy: -234.194
where: short stacking energy: -100.127
Base-Backbone interact. energy: -0.069
local terms energy: -114.327975
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -315.868562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.868562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.868562 (E_RNA)
where:
Base-Base interactions energy: -214.612
where: short stacking energy: -87.550
Base-Backbone interact. energy: 1.212
local terms energy: -102.468620
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -310.942265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.942265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.942265 (E_RNA)
where:
Base-Base interactions energy: -198.723
where: short stacking energy: -91.337
Base-Backbone interact. energy: 2.059
local terms energy: -114.278327
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -290.426240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.426240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.426240 (E_RNA)
where:
Base-Base interactions energy: -189.195
where: short stacking energy: -105.397
Base-Backbone interact. energy: -0.107
local terms energy: -101.123581
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -258.910968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.910968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.910968 (E_RNA)
where:
Base-Base interactions energy: -169.994
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.460
local terms energy: -88.456448
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -239.524490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.524490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.524490 (E_RNA)
where:
Base-Base interactions energy: -157.378
where: short stacking energy: -60.873
Base-Backbone interact. energy: -1.066
local terms energy: -81.081045
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -16.107
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: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -241.660748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.660748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.660748 (E_RNA)
where:
Base-Base interactions energy: -159.920
where: short stacking energy: -72.554
Base-Backbone interact. energy: -0.061
local terms energy: -81.679952
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -194.082066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.082066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.082066 (E_RNA)
where:
Base-Base interactions energy: -114.527
where: short stacking energy: -57.416
Base-Backbone interact. energy: 1.725
local terms energy: -81.280382
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -127.785385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.785385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.785385 (E_RNA)
where:
Base-Base interactions energy: -60.543
where: short stacking energy: -34.151
Base-Backbone interact. energy: 0.699
local terms energy: -67.941625
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -14.098
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: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -352.261986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.261986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.261986 (E_RNA)
where:
Base-Base interactions energy: -236.938
where: short stacking energy: -98.492
Base-Backbone interact. energy: -0.696
local terms energy: -114.628123
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -28.744
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -339.326195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.326195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.326195 (E_RNA)
where:
Base-Base interactions energy: -222.271
where: short stacking energy: -105.956
Base-Backbone interact. energy: -1.207
local terms energy: -115.848523
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -29.061
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -340.909842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.909842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.909842 (E_RNA)
where:
Base-Base interactions energy: -233.542
where: short stacking energy: -101.805
Base-Backbone interact. energy: -0.195
local terms energy: -107.172633
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -28.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -324.993108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.993108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.993108 (E_RNA)
where:
Base-Base interactions energy: -217.444
where: short stacking energy: -102.950
Base-Backbone interact. energy: -0.836
local terms energy: -106.713719
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -27.422
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: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -277.311703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.311703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.311703 (E_RNA)
where:
Base-Base interactions energy: -173.804
where: short stacking energy: -83.132
Base-Backbone interact. energy: -0.026
local terms energy: -103.482166
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -260.271835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.271835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.271835 (E_RNA)
where:
Base-Base interactions energy: -172.186
where: short stacking energy: -83.284
Base-Backbone interact. energy: 1.577
local terms energy: -89.662497
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -11.322
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -244.524592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.524592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.524592 (E_RNA)
where:
Base-Base interactions energy: -164.550
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.113
local terms energy: -79.861876
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -234.296390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.296390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.296390 (E_RNA)
where:
Base-Base interactions energy: -150.718
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.149
local terms energy: -83.429294
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -14.406
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -219.731450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731450 (E_RNA)
where:
Base-Base interactions energy: -148.250
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.575
local terms energy: -70.907049
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -114.406439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.406439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.406439 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -31.023
Base-Backbone interact. energy: -0.120
local terms energy: -80.475857
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -0.760
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -333.770842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.770842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.770842 (E_RNA)
where:
Base-Base interactions energy: -225.241
where: short stacking energy: -104.428
Base-Backbone interact. energy: -0.053
local terms energy: -108.476946
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -350.871977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.871977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.871977 (E_RNA)
where:
Base-Base interactions energy: -232.952
where: short stacking energy: -97.742
Base-Backbone interact. energy: -1.064
local terms energy: -116.855944
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -337.490780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.490780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.490780 (E_RNA)
where:
Base-Base interactions energy: -227.552
where: short stacking energy: -100.313
Base-Backbone interact. energy: -0.428
local terms energy: -109.511210
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -15.941
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: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -286.470789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.470789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.470789 (E_RNA)
where:
Base-Base interactions energy: -184.528
where: short stacking energy: -88.994
Base-Backbone interact. energy: -0.472
local terms energy: -101.470339
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -29.144
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: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -274.055782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.055782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.055782 (E_RNA)
where:
Base-Base interactions energy: -176.116
where: short stacking energy: -90.842
Base-Backbone interact. energy: -0.537
local terms energy: -97.403242
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -250.233422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.233422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.233422 (E_RNA)
where:
Base-Base interactions energy: -162.893
where: short stacking energy: -72.718
Base-Backbone interact. energy: 0.675
local terms energy: -88.015241
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -14.759
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: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -248.318965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.318965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.318965 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.098
local terms energy: -89.620552
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -239.570721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.570721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.570721 (E_RNA)
where:
Base-Base interactions energy: -153.937
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.155
local terms energy: -85.479081
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -12.811
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: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -203.244455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244455 (E_RNA)
where:
Base-Base interactions energy: -123.428
where: short stacking energy: -58.255
Base-Backbone interact. energy: -0.197
local terms energy: -79.619686
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -6.103
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -164.020783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.020783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.020783 (E_RNA)
where:
Base-Base interactions energy: -88.676
where: short stacking energy: -46.111
Base-Backbone interact. energy: 0.154
local terms energy: -75.498270
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -340.198928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.198928 (E_RNA)
where:
Base-Base interactions energy: -228.244
where: short stacking energy: -101.173
Base-Backbone interact. energy: -0.217
local terms energy: -111.737542
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -355.770877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.770877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.770877 (E_RNA)
where:
Base-Base interactions energy: -248.037
where: short stacking energy: -99.146
Base-Backbone interact. energy: -0.352
local terms energy: -107.381642
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -26.277
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -356.084372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.084372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.084372 (E_RNA)
where:
Base-Base interactions energy: -249.059
where: short stacking energy: -97.001
Base-Backbone interact. energy: -1.176
local terms energy: -105.849760
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -17.129
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: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -289.939938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.939938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.939938 (E_RNA)
where:
Base-Base interactions energy: -184.882
where: short stacking energy: -86.264
Base-Backbone interact. energy: -1.029
local terms energy: -104.028117
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -287.518241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.518241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.518241 (E_RNA)
where:
Base-Base interactions energy: -184.902
where: short stacking energy: -84.052
Base-Backbone interact. energy: -0.150
local terms energy: -102.466828
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -266.381730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.381730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.381730 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.047
local terms energy: -95.384469
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -13.283
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -247.281195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.281195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.281195 (E_RNA)
where:
Base-Base interactions energy: -154.147
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.114
local terms energy: -93.020229
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -14.042
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -220.159873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.159873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.159873 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.328
local terms energy: -77.963402
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -234.527250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.527250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.527250 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.171
local terms energy: -91.486660
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -192.522731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.522731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.522731 (E_RNA)
where:
Base-Base interactions energy: -115.783
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.192
local terms energy: -76.547903
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -8.340
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: 450
Temperature: 0.900000
Total energy: -368.251853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.251853 (E_RNA)
where:
Base-Base interactions energy: -260.970
where: short stacking energy: -94.235
Base-Backbone interact. energy: -0.178
local terms energy: -107.103793
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -25.473
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: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -332.949091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.949091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.949091 (E_RNA)
where:
Base-Base interactions energy: -226.422
where: short stacking energy: -91.702
Base-Backbone interact. energy: -0.234
local terms energy: -106.293234
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.099
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: 450
Temperature: 1.000000
Total energy: -339.053308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.053308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.053308 (E_RNA)
where:
Base-Base interactions energy: -232.953
where: short stacking energy: -89.759
Base-Backbone interact. energy: -0.716
local terms energy: -105.384518
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -25.151
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: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -291.809757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.809757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.809757 (E_RNA)
where:
Base-Base interactions energy: -185.499
where: short stacking energy: -91.667
Base-Backbone interact. energy: -0.094
local terms energy: -106.216451
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -282.837925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.837925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.837925 (E_RNA)
where:
Base-Base interactions energy: -174.597
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.141
local terms energy: -108.099348
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -17.173
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: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -272.729060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.729060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.729060 (E_RNA)
where:
Base-Base interactions energy: -164.691
where: short stacking energy: -80.518
Base-Backbone interact. energy: -0.056
local terms energy: -107.982244
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -25.796
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: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -229.476561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476561 (E_RNA)
where:
Base-Base interactions energy: -140.941
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.389
local terms energy: -88.146298
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -12.799
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: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -238.206955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.206955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.206955 (E_RNA)
where:
Base-Base interactions energy: -145.361
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.237
local terms energy: -92.608979
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -15.003
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: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -211.448898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448898 (E_RNA)
where:
Base-Base interactions energy: -125.220
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.236
local terms energy: -85.993042
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -14.600
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: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -231.088241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.088241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.088241 (E_RNA)
where:
Base-Base interactions energy: -140.708
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.500
local terms energy: -89.879784
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -15.422
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: 451
Temperature: 0.900000
Total energy: -363.508452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.508452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.508452 (E_RNA)
where:
Base-Base interactions energy: -245.776
where: short stacking energy: -96.866
Base-Backbone interact. energy: -0.342
local terms energy: -117.390014
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -337.281651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.281651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.281651 (E_RNA)
where:
Base-Base interactions energy: -221.357
where: short stacking energy: -105.094
Base-Backbone interact. energy: -0.196
local terms energy: -115.728007
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -31.070
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: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -324.048897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.048897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.048897 (E_RNA)
where:
Base-Base interactions energy: -222.959
where: short stacking energy: -96.444
Base-Backbone interact. energy: -0.422
local terms energy: -100.668057
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -13.040
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: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -279.460743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.460743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.460743 (E_RNA)
where:
Base-Base interactions energy: -191.211
where: short stacking energy: -102.472
Base-Backbone interact. energy: -0.188
local terms energy: -88.061250
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -280.627438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.627438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.627438 (E_RNA)
where:
Base-Base interactions energy: -177.948
where: short stacking energy: -89.315
Base-Backbone interact. energy: -0.156
local terms energy: -102.523162
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -14.121
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: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -267.623542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.623542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.623542 (E_RNA)
where:
Base-Base interactions energy: -174.327
where: short stacking energy: -88.240
Base-Backbone interact. energy: -0.058
local terms energy: -93.238358
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -16.543
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: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -260.839933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.839933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.839933 (E_RNA)
where:
Base-Base interactions energy: -161.351
where: short stacking energy: -73.760
Base-Backbone interact. energy: -0.114
local terms energy: -99.375821
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -213.794474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.794474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.794474 (E_RNA)
where:
Base-Base interactions energy: -122.547
where: short stacking energy: -58.358
Base-Backbone interact. energy: -0.339
local terms energy: -90.908986
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -208.098181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.098181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.098181 (E_RNA)
where:
Base-Base interactions energy: -124.836
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.208
local terms energy: -83.054885
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -12.430
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -204.520761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.520761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520761 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.328
local terms energy: -79.173706
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -346.721334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.721334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.721334 (E_RNA)
where:
Base-Base interactions energy: -232.080
where: short stacking energy: -94.578
Base-Backbone interact. energy: -0.527
local terms energy: -114.114688
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -358.374409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.374409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.374409 (E_RNA)
where:
Base-Base interactions energy: -242.947
where: short stacking energy: -99.644
Base-Backbone interact. energy: -1.722
local terms energy: -113.705798
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -29.573
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: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -323.353843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.353843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.353843 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -103.009
Base-Backbone interact. energy: -0.143
local terms energy: -109.978000
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -27.955
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: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -281.877903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.877903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.877903 (E_RNA)
where:
Base-Base interactions energy: -183.451
where: short stacking energy: -93.529
Base-Backbone interact. energy: -0.126
local terms energy: -98.301799
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -25.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -268.192033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.192033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.192033 (E_RNA)
where:
Base-Base interactions energy: -163.445
where: short stacking energy: -81.860
Base-Backbone interact. energy: -0.770
local terms energy: -103.977040
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -263.479930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.479930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.479930 (E_RNA)
where:
Base-Base interactions energy: -169.573
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.220
local terms energy: -93.686242
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.944
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: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -243.270380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.270380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.270380 (E_RNA)
where:
Base-Base interactions energy: -157.283
where: short stacking energy: -77.348
Base-Backbone interact. energy: -0.032
local terms energy: -85.955018
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -19.056
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: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -197.869161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869161 (E_RNA)
where:
Base-Base interactions energy: -120.705
where: short stacking energy: -61.029
Base-Backbone interact. energy: -1.063
local terms energy: -76.101745
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -6.669
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: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -204.617228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.617228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.617228 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -56.502
Base-Backbone interact. energy: -1.020
local terms energy: -75.654221
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -11.000
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: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -196.180930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.180930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.180930 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.114
local terms energy: -79.122904
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -351.999294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.999294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.999294 (E_RNA)
where:
Base-Base interactions energy: -236.202
where: short stacking energy: -109.301
Base-Backbone interact. energy: -2.010
local terms energy: -113.787372
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -28.460
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -330.239492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.239492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.239492 (E_RNA)
where:
Base-Base interactions energy: -211.730
where: short stacking energy: -97.320
Base-Backbone interact. energy: -0.226
local terms energy: -118.283234
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -28.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -315.605354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.605354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.605354 (E_RNA)
where:
Base-Base interactions energy: -211.887
where: short stacking energy: -88.452
Base-Backbone interact. energy: -0.401
local terms energy: -103.317872
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -293.479571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.479571 (E_RNA)
where:
Base-Base interactions energy: -204.017
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.410
local terms energy: -89.052471
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -295.036947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.036947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.036947 (E_RNA)
where:
Base-Base interactions energy: -188.455
where: short stacking energy: -91.507
Base-Backbone interact. energy: -0.083
local terms energy: -106.498872
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -22.362
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: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -271.653929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.653929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.653929 (E_RNA)
where:
Base-Base interactions energy: -173.875
where: short stacking energy: -89.543
Base-Backbone interact. energy: -0.329
local terms energy: -97.450443
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -20.829
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: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -295.423601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.423601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.423601 (E_RNA)
where:
Base-Base interactions energy: -200.580
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.207
local terms energy: -94.636531
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -13.240
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: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -207.611889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.611889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.611889 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.507
local terms energy: -69.756357
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -201.384079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.384079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384079 (E_RNA)
where:
Base-Base interactions energy: -119.439
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.077
local terms energy: -81.868626
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -14.303
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -175.288176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.288176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.288176 (E_RNA)
where:
Base-Base interactions energy: -96.674
where: short stacking energy: -47.130
Base-Backbone interact. energy: -0.206
local terms energy: -78.408183
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -6.622
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: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -359.796828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.796828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.796828 (E_RNA)
where:
Base-Base interactions energy: -246.592
where: short stacking energy: -105.639
Base-Backbone interact. energy: 2.184
local terms energy: -115.387957
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -26.315
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: 454
Temperature: 0.950000
Total energy: -351.427751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.427751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.427751 (E_RNA)
where:
Base-Base interactions energy: -245.372
where: short stacking energy: -93.983
Base-Backbone interact. energy: -0.738
local terms energy: -105.317595
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -26.017
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: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -299.227619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.227619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.227619 (E_RNA)
where:
Base-Base interactions energy: -194.493
where: short stacking energy: -91.671
Base-Backbone interact. energy: -0.965
local terms energy: -103.769126
where:
bonds (distance) C4'-P energy: -24.727
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -19.927
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -291.825015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.825015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.825015 (E_RNA)
where:
Base-Base interactions energy: -186.384
where: short stacking energy: -86.900
Base-Backbone interact. energy: -2.739
local terms energy: -102.702489
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -23.878
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: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -276.317049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.317049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.317049 (E_RNA)
where:
Base-Base interactions energy: -177.092
where: short stacking energy: -87.818
Base-Backbone interact. energy: -0.725
local terms energy: -98.500064
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -13.469
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: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -275.074446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.074446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.074446 (E_RNA)
where:
Base-Base interactions energy: -181.895
where: short stacking energy: -94.547
Base-Backbone interact. energy: 0.057
local terms energy: -93.236882
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -209.639600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.639600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.639600 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.255
local terms energy: -85.464442
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -243.691573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.691573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.691573 (E_RNA)
where:
Base-Base interactions energy: -167.816
where: short stacking energy: -73.784
Base-Backbone interact. energy: 2.463
local terms energy: -78.338651
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -6.610
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: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -156.246268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.246268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.246268 (E_RNA)
where:
Base-Base interactions energy: -86.437
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.983
local terms energy: -68.825970
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -190.698901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.698901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.698901 (E_RNA)
where:
Base-Base interactions energy: -109.492
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.374
local terms energy: -80.832518
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -356.961783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.961783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.961783 (E_RNA)
where:
Base-Base interactions energy: -240.260
where: short stacking energy: -95.131
Base-Backbone interact. energy: -1.020
local terms energy: -115.682201
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -19.646
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: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -306.715399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.715399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.715399 (E_RNA)
where:
Base-Base interactions energy: -184.836
where: short stacking energy: -93.508
Base-Backbone interact. energy: -0.733
local terms energy: -121.146057
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -333.601628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.601628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.601628 (E_RNA)
where:
Base-Base interactions energy: -225.369
where: short stacking energy: -93.741
Base-Backbone interact. energy: -0.350
local terms energy: -107.882034
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -25.485
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -260.293379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.293379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.293379 (E_RNA)
where:
Base-Base interactions energy: -165.613
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.322
local terms energy: -94.357933
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -285.183357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.183357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.183357 (E_RNA)
where:
Base-Base interactions energy: -190.601
where: short stacking energy: -87.660
Base-Backbone interact. energy: -0.440
local terms energy: -94.143118
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.190
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: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -258.369293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.369293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.369293 (E_RNA)
where:
Base-Base interactions energy: -164.813
where: short stacking energy: -73.699
Base-Backbone interact. energy: -0.429
local terms energy: -93.126942
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -230.985239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.985239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.985239 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.185
local terms energy: -95.596250
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -244.139797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.139797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.139797 (E_RNA)
where:
Base-Base interactions energy: -160.059
where: short stacking energy: -68.552
Base-Backbone interact. energy: -1.596
local terms energy: -82.484738
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -16.956
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: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -171.647660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.647660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.647660 (E_RNA)
where:
Base-Base interactions energy: -102.954
where: short stacking energy: -48.314
Base-Backbone interact. energy: -0.352
local terms energy: -68.341622
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -231.889288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.889288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.889288 (E_RNA)
where:
Base-Base interactions energy: -145.071
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.375
local terms energy: -86.443898
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -15.544
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: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -355.928582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.928582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.928582 (E_RNA)
where:
Base-Base interactions energy: -243.123
where: short stacking energy: -107.511
Base-Backbone interact. energy: -0.191
local terms energy: -112.615120
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -322.052243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.052243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.052243 (E_RNA)
where:
Base-Base interactions energy: -215.639
where: short stacking energy: -96.882
Base-Backbone interact. energy: -0.164
local terms energy: -106.248794
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -334.316855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.316855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.316855 (E_RNA)
where:
Base-Base interactions energy: -219.712
where: short stacking energy: -88.675
Base-Backbone interact. energy: -0.255
local terms energy: -114.349187
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -28.674
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: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -294.659795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.659795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.659795 (E_RNA)
where:
Base-Base interactions energy: -203.511
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.302
local terms energy: -90.846589
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -286.015262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.015262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.015262 (E_RNA)
where:
Base-Base interactions energy: -178.250
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.586
local terms energy: -107.179059
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -26.077
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: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -265.532251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.532251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.532251 (E_RNA)
where:
Base-Base interactions energy: -177.639
where: short stacking energy: -72.324
Base-Backbone interact. energy: 0.483
local terms energy: -88.375830
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -275.203261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.203261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.203261 (E_RNA)
where:
Base-Base interactions energy: -183.219
where: short stacking energy: -85.021
Base-Backbone interact. energy: 0.140
local terms energy: -92.124662
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -243.769883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.769883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.769883 (E_RNA)
where:
Base-Base interactions energy: -156.597
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.153
local terms energy: -87.020693
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -231.384817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.384817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.384817 (E_RNA)
where:
Base-Base interactions energy: -154.321
where: short stacking energy: -66.561
Base-Backbone interact. energy: -1.021
local terms energy: -76.043466
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -170.348170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.348170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.348170 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.388
local terms energy: -70.989683
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -355.417110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.417110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.417110 (E_RNA)
where:
Base-Base interactions energy: -235.199
where: short stacking energy: -97.344
Base-Backbone interact. energy: -0.166
local terms energy: -120.052114
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -341.591632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.591632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.591632 (E_RNA)
where:
Base-Base interactions energy: -221.516
where: short stacking energy: -105.067
Base-Backbone interact. energy: 0.185
local terms energy: -120.260012
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -32.399
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: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -301.830778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.830778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.830778 (E_RNA)
where:
Base-Base interactions energy: -200.559
where: short stacking energy: -81.588
Base-Backbone interact. energy: -0.204
local terms energy: -101.067364
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -22.107
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: 457
Temperature: 1.050000
Total energy: -291.837725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.837725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.837725 (E_RNA)
where:
Base-Base interactions energy: -181.075
where: short stacking energy: -93.421
Base-Backbone interact. energy: 1.659
local terms energy: -112.422536
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -26.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -254.288596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.288596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.288596 (E_RNA)
where:
Base-Base interactions energy: -167.953
where: short stacking energy: -69.521
Base-Backbone interact. energy: 0.124
local terms energy: -86.459566
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -276.039611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.039611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.039611 (E_RNA)
where:
Base-Base interactions energy: -187.381
where: short stacking energy: -84.984
Base-Backbone interact. energy: 0.392
local terms energy: -89.051339
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -267.167949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.167949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.167949 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.230
local terms energy: -82.180119
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -11.994
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: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -252.237760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.237760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.237760 (E_RNA)
where:
Base-Base interactions energy: -155.583
where: short stacking energy: -70.879
Base-Backbone interact. energy: -1.170
local terms energy: -95.485421
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -230.901510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.901510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.901510 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.106
local terms energy: -91.689603
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -188.599713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.599713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.599713 (E_RNA)
where:
Base-Base interactions energy: -117.558
where: short stacking energy: -46.947
Base-Backbone interact. energy: 0.138
local terms energy: -71.179303
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -8.284
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: 458
Temperature: 0.900000
Total energy: -342.573302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.573302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.573302 (E_RNA)
where:
Base-Base interactions energy: -225.309
where: short stacking energy: -97.682
Base-Backbone interact. energy: -0.628
local terms energy: -116.636501
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -357.746173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.746173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.746173 (E_RNA)
where:
Base-Base interactions energy: -242.244
where: short stacking energy: -107.623
Base-Backbone interact. energy: -0.306
local terms energy: -115.195501
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -308.894703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.894703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.894703 (E_RNA)
where:
Base-Base interactions energy: -209.608
where: short stacking energy: -87.970
Base-Backbone interact. energy: -0.278
local terms energy: -99.008722
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -16.800
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: 458
Temperature: 1.050000
Total energy: -289.151764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.151764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.151764 (E_RNA)
where:
Base-Base interactions energy: -189.413
where: short stacking energy: -94.319
Base-Backbone interact. energy: -0.057
local terms energy: -99.681953
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -286.831227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.831227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.831227 (E_RNA)
where:
Base-Base interactions energy: -194.102
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.421
local terms energy: -92.308505
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -248.318526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.318526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.318526 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.262
local terms energy: -94.392569
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -13.701
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: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -250.994385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.994385 (E_RNA)
where:
Base-Base interactions energy: -161.010
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.663
local terms energy: -89.321437
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -16.030
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: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -270.381152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.381152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.381152 (E_RNA)
where:
Base-Base interactions energy: -183.074
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.207
local terms energy: -87.099803
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -240.554778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.554778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.554778 (E_RNA)
where:
Base-Base interactions energy: -161.081
where: short stacking energy: -70.450
Base-Backbone interact. energy: -0.082
local terms energy: -79.391901
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -211.737205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.737205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.737205 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -55.661
Base-Backbone interact. energy: 0.179
local terms energy: -84.235268
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -351.047451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.047451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.047451 (E_RNA)
where:
Base-Base interactions energy: -229.616
where: short stacking energy: -97.595
Base-Backbone interact. energy: -1.081
local terms energy: -120.350895
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -19.510
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: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -310.823035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.823035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.823035 (E_RNA)
where:
Base-Base interactions energy: -203.168
where: short stacking energy: -94.681
Base-Backbone interact. energy: 0.950
local terms energy: -108.604157
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -347.122928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.122928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.122928 (E_RNA)
where:
Base-Base interactions energy: -238.912
where: short stacking energy: -105.175
Base-Backbone interact. energy: -0.340
local terms energy: -107.870710
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -19.933
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: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -284.298929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.298929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.298929 (E_RNA)
where:
Base-Base interactions energy: -190.296
where: short stacking energy: -89.228
Base-Backbone interact. energy: -0.221
local terms energy: -93.782034
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -279.586011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.586011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.586011 (E_RNA)
where:
Base-Base interactions energy: -174.673
where: short stacking energy: -88.320
Base-Backbone interact. energy: -0.467
local terms energy: -104.446082
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -16.210
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: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -252.213842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.213842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.213842 (E_RNA)
where:
Base-Base interactions energy: -163.463
where: short stacking energy: -75.889
Base-Backbone interact. energy: -0.476
local terms energy: -88.274478
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -237.938998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938998 (E_RNA)
where:
Base-Base interactions energy: -147.654
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.240
local terms energy: -90.044935
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -270.300163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.300163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.300163 (E_RNA)
where:
Base-Base interactions energy: -180.374
where: short stacking energy: -81.823
Base-Backbone interact. energy: 1.455
local terms energy: -91.380388
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -11.818
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -243.520288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.520288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.520288 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -76.650
Base-Backbone interact. energy: 1.028
local terms energy: -77.765410
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -18.223
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: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -195.703597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.703597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.703597 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -48.759
Base-Backbone interact. energy: 0.238
local terms energy: -78.322587
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -9.263
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: 460
Temperature: 0.900000
Total energy: -362.302845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.302845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.302845 (E_RNA)
where:
Base-Base interactions energy: -248.727
where: short stacking energy: -115.021
Base-Backbone interact. energy: -2.356
local terms energy: -111.219629
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -31.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -322.304890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.304890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.304890 (E_RNA)
where:
Base-Base interactions energy: -224.787
where: short stacking energy: -99.641
Base-Backbone interact. energy: -0.114
local terms energy: -97.404438
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -324.327465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.327465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.327465 (E_RNA)
where:
Base-Base interactions energy: -210.344
where: short stacking energy: -93.107
Base-Backbone interact. energy: -0.250
local terms energy: -113.733895
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -25.967
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -283.779313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.779313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.779313 (E_RNA)
where:
Base-Base interactions energy: -196.121
where: short stacking energy: -91.162
Base-Backbone interact. energy: -0.061
local terms energy: -87.597262
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -17.848
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: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -285.720131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.720131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.720131 (E_RNA)
where:
Base-Base interactions energy: -192.780
where: short stacking energy: -77.255
Base-Backbone interact. energy: -1.193
local terms energy: -91.747323
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -20.342
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: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -267.333565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.333565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.333565 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -84.218
Base-Backbone interact. energy: 1.225
local terms energy: -100.200145
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -15.616
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: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -272.867466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.867466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.867466 (E_RNA)
where:
Base-Base interactions energy: -180.584
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.073
local terms energy: -92.210131
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -19.328
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: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -218.348739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348739 (E_RNA)
where:
Base-Base interactions energy: -146.701
where: short stacking energy: -62.283
Base-Backbone interact. energy: -0.122
local terms energy: -71.525141
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -17.404
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: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -239.393695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.393695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.393695 (E_RNA)
where:
Base-Base interactions energy: -157.530
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.406
local terms energy: -81.457961
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -206.887101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.887101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.887101 (E_RNA)
where:
Base-Base interactions energy: -127.927
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.490
local terms energy: -78.469710
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -351.254185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.254185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.254185 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -101.553
Base-Backbone interact. energy: 0.143
local terms energy: -112.829366
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -16.871
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: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -334.579012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.579012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.579012 (E_RNA)
where:
Base-Base interactions energy: -221.176
where: short stacking energy: -100.537
Base-Backbone interact. energy: -0.852
local terms energy: -112.550613
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -14.967
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: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -323.146654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.146654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.146654 (E_RNA)
where:
Base-Base interactions energy: -214.248
where: short stacking energy: -105.311
Base-Backbone interact. energy: -0.564
local terms energy: -108.334111
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -314.900876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.900876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.900876 (E_RNA)
where:
Base-Base interactions energy: -213.133
where: short stacking energy: -88.006
Base-Backbone interact. energy: -0.485
local terms energy: -101.283444
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -296.586203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.586203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.586203 (E_RNA)
where:
Base-Base interactions energy: -192.816
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.550
local terms energy: -103.220206
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -25.938
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: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -288.243215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.243215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.243215 (E_RNA)
where:
Base-Base interactions energy: -185.909
where: short stacking energy: -85.793
Base-Backbone interact. energy: 0.288
local terms energy: -102.622570
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -23.682
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: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -250.030523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.030523 (E_RNA)
where:
Base-Base interactions energy: -157.894
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.323
local terms energy: -91.813489
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -236.853005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.853005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.853005 (E_RNA)
where:
Base-Base interactions energy: -146.725
where: short stacking energy: -66.008
Base-Backbone interact. energy: 1.431
local terms energy: -91.558606
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -15.704
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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -192.598036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598036 (E_RNA)
where:
Base-Base interactions energy: -113.270
where: short stacking energy: -45.474
Base-Backbone interact. energy: 1.634
local terms energy: -80.961562
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -14.714
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: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -181.832275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.832275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.832275 (E_RNA)
where:
Base-Base interactions energy: -106.830
where: short stacking energy: -52.115
Base-Backbone interact. energy: -0.143
local terms energy: -74.859356
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -10.727
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: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -354.315570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.315570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.315570 (E_RNA)
where:
Base-Base interactions energy: -237.156
where: short stacking energy: -101.181
Base-Backbone interact. energy: -1.021
local terms energy: -116.139267
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -14.250
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: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -336.864335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.864335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.864335 (E_RNA)
where:
Base-Base interactions energy: -222.789
where: short stacking energy: -90.644
Base-Backbone interact. energy: -0.719
local terms energy: -113.355898
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -321.608350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.608350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.608350 (E_RNA)
where:
Base-Base interactions energy: -218.061
where: short stacking energy: -92.607
Base-Backbone interact. energy: -0.137
local terms energy: -103.411088
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -12.611
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: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -298.708583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.708583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.708583 (E_RNA)
where:
Base-Base interactions energy: -189.495
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.287
local terms energy: -108.926111
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -21.981
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: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -299.557742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.557742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.557742 (E_RNA)
where:
Base-Base interactions energy: -202.291
where: short stacking energy: -81.578
Base-Backbone interact. energy: 0.286
local terms energy: -97.553128
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -302.392578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.392578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.392578 (E_RNA)
where:
Base-Base interactions energy: -194.141
where: short stacking energy: -89.746
Base-Backbone interact. energy: -0.124
local terms energy: -108.127659
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -263.195564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.195564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.195564 (E_RNA)
where:
Base-Base interactions energy: -166.297
where: short stacking energy: -78.872
Base-Backbone interact. energy: -0.072
local terms energy: -96.826396
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -222.888037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.888037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.888037 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.285
local terms energy: -72.791796
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -12.058
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: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -223.449943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.449943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.449943 (E_RNA)
where:
Base-Base interactions energy: -137.625
where: short stacking energy: -62.436
Base-Backbone interact. energy: 0.835
local terms energy: -86.659311
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -196.854339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.854339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.854339 (E_RNA)
where:
Base-Base interactions energy: -127.725
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.876
local terms energy: -68.253821
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -343.584972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.584972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.584972 (E_RNA)
where:
Base-Base interactions energy: -231.651
where: short stacking energy: -92.289
Base-Backbone interact. energy: -0.880
local terms energy: -111.054010
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -25.893
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: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -338.483093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.483093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.483093 (E_RNA)
where:
Base-Base interactions energy: -232.792
where: short stacking energy: -103.263
Base-Backbone interact. energy: -0.334
local terms energy: -105.356964
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -25.320
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -338.825188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.825188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.825188 (E_RNA)
where:
Base-Base interactions energy: -229.672
where: short stacking energy: -97.480
Base-Backbone interact. energy: -1.829
local terms energy: -107.324027
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -16.275
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: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -286.652253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.652253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.652253 (E_RNA)
where:
Base-Base interactions energy: -184.951
where: short stacking energy: -91.514
Base-Backbone interact. energy: -0.335
local terms energy: -101.367165
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -303.427581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.427581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.427581 (E_RNA)
where:
Base-Base interactions energy: -195.592
where: short stacking energy: -88.331
Base-Backbone interact. energy: -1.255
local terms energy: -106.580339
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -15.958
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: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -281.001455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.001455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.001455 (E_RNA)
where:
Base-Base interactions energy: -182.650
where: short stacking energy: -93.550
Base-Backbone interact. energy: -0.002
local terms energy: -98.349395
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -27.545
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: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -264.113460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.113460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.113460 (E_RNA)
where:
Base-Base interactions energy: -177.941
where: short stacking energy: -66.969
Base-Backbone interact. energy: -1.064
local terms energy: -85.108922
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -241.983008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.983008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.983008 (E_RNA)
where:
Base-Base interactions energy: -149.908
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.594
local terms energy: -91.480476
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -234.795286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.795286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.795286 (E_RNA)
where:
Base-Base interactions energy: -159.089
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.131
local terms energy: -75.574564
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -19.602
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: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -199.400591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.400591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.400591 (E_RNA)
where:
Base-Base interactions energy: -124.262
where: short stacking energy: -62.862
Base-Backbone interact. energy: -1.398
local terms energy: -73.740449
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -14.009
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: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -349.553884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.553884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.553884 (E_RNA)
where:
Base-Base interactions energy: -231.454
where: short stacking energy: -93.512
Base-Backbone interact. energy: -0.168
local terms energy: -117.931196
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -346.416954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.416954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.416954 (E_RNA)
where:
Base-Base interactions energy: -234.386
where: short stacking energy: -95.067
Base-Backbone interact. energy: -0.325
local terms energy: -111.706104
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -349.667892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.667892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.667892 (E_RNA)
where:
Base-Base interactions energy: -237.890
where: short stacking energy: -97.305
Base-Backbone interact. energy: -0.602
local terms energy: -111.175948
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -300.640551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.640551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.640551 (E_RNA)
where:
Base-Base interactions energy: -192.761
where: short stacking energy: -80.686
Base-Backbone interact. energy: 0.367
local terms energy: -108.246499
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -27.248
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -285.559553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.559553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.559553 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -89.844
Base-Backbone interact. energy: -0.016
local terms energy: -94.957572
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -280.640656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.640656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.640656 (E_RNA)
where:
Base-Base interactions energy: -183.916
where: short stacking energy: -83.455
Base-Backbone interact. energy: -0.739
local terms energy: -95.985991
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -13.307
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -262.475129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.475129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.475129 (E_RNA)
where:
Base-Base interactions energy: -161.323
where: short stacking energy: -69.068
Base-Backbone interact. energy: -2.113
local terms energy: -99.039290
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -247.043685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.043685 (E_RNA)
where:
Base-Base interactions energy: -167.402
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.242
local terms energy: -79.399167
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -204.434890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.434890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.434890 (E_RNA)
where:
Base-Base interactions energy: -125.561
where: short stacking energy: -50.921
Base-Backbone interact. energy: -1.258
local terms energy: -77.616133
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -196.599032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.599032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.599032 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -49.109
Base-Backbone interact. energy: 3.450
local terms energy: -75.180858
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -358.469265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.469265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.469265 (E_RNA)
where:
Base-Base interactions energy: -248.827
where: short stacking energy: -109.481
Base-Backbone interact. energy: 1.929
local terms energy: -111.571031
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -357.643663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.643663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.643663 (E_RNA)
where:
Base-Base interactions energy: -243.979
where: short stacking energy: -102.344
Base-Backbone interact. energy: 1.687
local terms energy: -115.352116
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -29.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -341.579039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.579039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.579039 (E_RNA)
where:
Base-Base interactions energy: -239.000
where: short stacking energy: -99.350
Base-Backbone interact. energy: 1.177
local terms energy: -103.756391
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -287.240226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.240226 (E_RNA)
where:
Base-Base interactions energy: -173.248
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.157
local terms energy: -113.835323
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -273.045219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.045219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.045219 (E_RNA)
where:
Base-Base interactions energy: -175.478
where: short stacking energy: -84.819
Base-Backbone interact. energy: -0.583
local terms energy: -96.984514
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -17.491
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: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -265.340940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.340940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.340940 (E_RNA)
where:
Base-Base interactions energy: -165.967
where: short stacking energy: -77.501
Base-Backbone interact. energy: -0.652
local terms energy: -98.721818
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -264.960346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.960346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.960346 (E_RNA)
where:
Base-Base interactions energy: -182.033
where: short stacking energy: -76.528
Base-Backbone interact. energy: -0.405
local terms energy: -82.521875
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -253.050840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.050840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.050840 (E_RNA)
where:
Base-Base interactions energy: -169.253
where: short stacking energy: -79.320
Base-Backbone interact. energy: -0.348
local terms energy: -83.449890
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -184.987030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987030 (E_RNA)
where:
Base-Base interactions energy: -103.226
where: short stacking energy: -55.256
Base-Backbone interact. energy: 0.012
local terms energy: -81.773871
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -9.953
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: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -196.793747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.793747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.793747 (E_RNA)
where:
Base-Base interactions energy: -124.171
where: short stacking energy: -59.755
Base-Backbone interact. energy: 1.233
local terms energy: -73.855875
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -352.687456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.687456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.687456 (E_RNA)
where:
Base-Base interactions energy: -233.617
where: short stacking energy: -83.375
Base-Backbone interact. energy: -1.035
local terms energy: -118.035797
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -351.851333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.851333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.851333 (E_RNA)
where:
Base-Base interactions energy: -236.140
where: short stacking energy: -108.792
Base-Backbone interact. energy: -0.525
local terms energy: -115.186546
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -30.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -332.882138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.882138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.882138 (E_RNA)
where:
Base-Base interactions energy: -225.871
where: short stacking energy: -100.076
Base-Backbone interact. energy: -1.265
local terms energy: -105.745300
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -278.942206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.942206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.942206 (E_RNA)
where:
Base-Base interactions energy: -186.390
where: short stacking energy: -82.216
Base-Backbone interact. energy: -0.097
local terms energy: -92.455796
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -269.891515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.891515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.891515 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -82.277
Base-Backbone interact. energy: -0.009
local terms energy: -99.007498
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -277.377171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.377171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.377171 (E_RNA)
where:
Base-Base interactions energy: -174.563
where: short stacking energy: -84.357
Base-Backbone interact. energy: -0.091
local terms energy: -102.723758
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -18.693
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: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -276.179261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.179261 (E_RNA)
where:
Base-Base interactions energy: -184.251
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.194
local terms energy: -91.734509
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -259.596019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.596019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.596019 (E_RNA)
where:
Base-Base interactions energy: -173.284
where: short stacking energy: -79.604
Base-Backbone interact. energy: -0.606
local terms energy: -85.705746
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -201.001104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.001104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.001104 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.006
local terms energy: -85.567309
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -187.677817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.677817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.677817 (E_RNA)
where:
Base-Base interactions energy: -122.400
where: short stacking energy: -52.008
Base-Backbone interact. energy: 3.633
local terms energy: -68.911100
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -357.064424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.064424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.064424 (E_RNA)
where:
Base-Base interactions energy: -245.930
where: short stacking energy: -103.096
Base-Backbone interact. energy: -0.714
local terms energy: -110.420344
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -30.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -353.271042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.271042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.271042 (E_RNA)
where:
Base-Base interactions energy: -245.533
where: short stacking energy: -101.536
Base-Backbone interact. energy: -0.568
local terms energy: -107.170250
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -16.503
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: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -359.050095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.050095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.050095 (E_RNA)
where:
Base-Base interactions energy: -253.682
where: short stacking energy: -102.807
Base-Backbone interact. energy: -0.470
local terms energy: -104.897856
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -27.052
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -287.439723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.439723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.439723 (E_RNA)
where:
Base-Base interactions energy: -182.748
where: short stacking energy: -97.173
Base-Backbone interact. energy: -0.752
local terms energy: -103.939690
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -271.079010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.079010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.079010 (E_RNA)
where:
Base-Base interactions energy: -178.448
where: short stacking energy: -89.335
Base-Backbone interact. energy: 0.586
local terms energy: -93.216910
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -270.907337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.907337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.907337 (E_RNA)
where:
Base-Base interactions energy: -176.634
where: short stacking energy: -90.898
Base-Backbone interact. energy: -0.081
local terms energy: -94.192277
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -18.071
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: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -258.745819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.745819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.745819 (E_RNA)
where:
Base-Base interactions energy: -162.763
where: short stacking energy: -76.930
Base-Backbone interact. energy: -0.252
local terms energy: -95.731165
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -20.056
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: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -234.119083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.119083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.119083 (E_RNA)
where:
Base-Base interactions energy: -156.412
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.091
local terms energy: -77.615556
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -13.788
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: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -211.734637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.734637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.734637 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -57.809
Base-Backbone interact. energy: 1.232
local terms energy: -72.125416
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -196.721262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.721262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.721262 (E_RNA)
where:
Base-Base interactions energy: -111.069
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.499
local terms energy: -85.152943
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -356.984341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.984341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.984341 (E_RNA)
where:
Base-Base interactions energy: -246.722
where: short stacking energy: -101.161
Base-Backbone interact. energy: -2.236
local terms energy: -108.025770
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -30.286
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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -352.927945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.927945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.927945 (E_RNA)
where:
Base-Base interactions energy: -242.789
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.492
local terms energy: -109.647024
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -349.882279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.882279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.882279 (E_RNA)
where:
Base-Base interactions energy: -239.122
where: short stacking energy: -96.618
Base-Backbone interact. energy: -0.306
local terms energy: -110.453835
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -15.659
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: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -291.007272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.007272 (E_RNA)
where:
Base-Base interactions energy: -186.431
where: short stacking energy: -82.283
Base-Backbone interact. energy: 0.160
local terms energy: -104.736508
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -24.242
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: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -271.032804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.032804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.032804 (E_RNA)
where:
Base-Base interactions energy: -184.256
where: short stacking energy: -95.118
Base-Backbone interact. energy: 0.339
local terms energy: -87.116703
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -24.144
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: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -273.905993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.905993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.905993 (E_RNA)
where:
Base-Base interactions energy: -178.320
where: short stacking energy: -81.261
Base-Backbone interact. energy: 0.329
local terms energy: -95.914771
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -245.744795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.744795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.744795 (E_RNA)
where:
Base-Base interactions energy: -155.192
where: short stacking energy: -78.203
Base-Backbone interact. energy: 0.390
local terms energy: -90.942949
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -16.030
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: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -244.295219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.295219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.295219 (E_RNA)
where:
Base-Base interactions energy: -151.804
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.550
local terms energy: -91.940745
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -12.648
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: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -198.640006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.640006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.640006 (E_RNA)
where:
Base-Base interactions energy: -112.300
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.446
local terms energy: -85.894153
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -13.944
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: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -217.687606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.687606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.687606 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.194
local terms energy: -82.766895
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -360.263645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.263645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.263645 (E_RNA)
where:
Base-Base interactions energy: -245.594
where: short stacking energy: -97.757
Base-Backbone interact. energy: -1.496
local terms energy: -113.174343
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -340.956073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.956073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.956073 (E_RNA)
where:
Base-Base interactions energy: -238.032
where: short stacking energy: -103.050
Base-Backbone interact. energy: -0.717
local terms energy: -102.206575
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -29.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -341.939253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.939253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.939253 (E_RNA)
where:
Base-Base interactions energy: -233.118
where: short stacking energy: -110.626
Base-Backbone interact. energy: -0.109
local terms energy: -108.712694
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -293.156613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.156613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.156613 (E_RNA)
where:
Base-Base interactions energy: -191.725
where: short stacking energy: -88.137
Base-Backbone interact. energy: -0.173
local terms energy: -101.259269
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -27.006
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: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -303.200433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.200433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.200433 (E_RNA)
where:
Base-Base interactions energy: -189.907
where: short stacking energy: -100.243
Base-Backbone interact. energy: 1.805
local terms energy: -115.097796
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -276.401181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.401181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.401181 (E_RNA)
where:
Base-Base interactions energy: -183.667
where: short stacking energy: -78.311
Base-Backbone interact. energy: -0.263
local terms energy: -92.470638
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -18.833
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -264.211135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.211135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.211135 (E_RNA)
where:
Base-Base interactions energy: -181.302
where: short stacking energy: -81.596
Base-Backbone interact. energy: -0.034
local terms energy: -82.874768
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -15.571
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: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -241.316215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.316215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.316215 (E_RNA)
where:
Base-Base interactions energy: -153.108
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.002
local terms energy: -88.206809
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -7.349
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: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -216.317811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317811 (E_RNA)
where:
Base-Base interactions energy: -131.853
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.143
local terms energy: -84.321765
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -12.341
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: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -201.685034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.685034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.685034 (E_RNA)
where:
Base-Base interactions energy: -122.651
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.130
local terms energy: -78.904228
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -361.959748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.959748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.959748 (E_RNA)
where:
Base-Base interactions energy: -244.696
where: short stacking energy: -110.282
Base-Backbone interact. energy: 1.015
local terms energy: -118.278975
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -16.191
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: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -334.653271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.653271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.653271 (E_RNA)
where:
Base-Base interactions energy: -224.946
where: short stacking energy: -103.766
Base-Backbone interact. energy: 0.469
local terms energy: -110.176111
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -332.919428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.919428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.919428 (E_RNA)
where:
Base-Base interactions energy: -227.494
where: short stacking energy: -106.856
Base-Backbone interact. energy: 0.783
local terms energy: -106.209017
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -27.970
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -292.556976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.556976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.556976 (E_RNA)
where:
Base-Base interactions energy: -190.059
where: short stacking energy: -85.325
Base-Backbone interact. energy: -0.714
local terms energy: -101.784283
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -299.668972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.668972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.668972 (E_RNA)
where:
Base-Base interactions energy: -190.920
where: short stacking energy: -92.847
Base-Backbone interact. energy: 0.528
local terms energy: -109.277321
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -30.374
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: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -267.346519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.346519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.346519 (E_RNA)
where:
Base-Base interactions energy: -174.268
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.161
local terms energy: -92.917226
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -16.724
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: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -268.661647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.661647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.661647 (E_RNA)
where:
Base-Base interactions energy: -174.293
where: short stacking energy: -90.431
Base-Backbone interact. energy: -0.592
local terms energy: -93.776793
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -195.305892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.305892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.305892 (E_RNA)
where:
Base-Base interactions energy: -103.616
where: short stacking energy: -53.275
Base-Backbone interact. energy: 1.348
local terms energy: -93.037958
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -194.434072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.434072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.434072 (E_RNA)
where:
Base-Base interactions energy: -118.523
where: short stacking energy: -63.509
Base-Backbone interact. energy: 0.376
local terms energy: -76.287068
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -7.684
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: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -202.884024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.884024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.884024 (E_RNA)
where:
Base-Base interactions energy: -128.825
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.367
local terms energy: -73.692142
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -6.952
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: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -361.532135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.532135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.532135 (E_RNA)
where:
Base-Base interactions energy: -244.007
where: short stacking energy: -102.282
Base-Backbone interact. energy: 0.329
local terms energy: -117.854495
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -30.369
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: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -340.409203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.409203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.409203 (E_RNA)
where:
Base-Base interactions energy: -220.667
where: short stacking energy: -104.988
Base-Backbone interact. energy: -1.935
local terms energy: -117.807327
where:
bonds (distance) C4'-P energy: -25.846
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -318.977827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.977827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.977827 (E_RNA)
where:
Base-Base interactions energy: -229.938
where: short stacking energy: -85.618
Base-Backbone interact. energy: -1.096
local terms energy: -87.944223
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -284.052101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.052101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.052101 (E_RNA)
where:
Base-Base interactions energy: -173.638
where: short stacking energy: -83.240
Base-Backbone interact. energy: -0.096
local terms energy: -110.318255
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -23.970
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: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -265.382512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.382512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.382512 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -90.751
Base-Backbone interact. energy: -0.393
local terms energy: -95.759316
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -299.705347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.705347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.705347 (E_RNA)
where:
Base-Base interactions energy: -199.077
where: short stacking energy: -83.844
Base-Backbone interact. energy: -0.506
local terms energy: -100.122344
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -254.832199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.832199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.832199 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -74.848
Base-Backbone interact. energy: -0.243
local terms energy: -92.326636
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -16.429
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: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -196.488543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.488543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.488543 (E_RNA)
where:
Base-Base interactions energy: -125.981
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.321
local terms energy: -70.186891
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -5.404
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: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -217.352137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.352137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.352137 (E_RNA)
where:
Base-Base interactions energy: -137.033
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.071
local terms energy: -80.247455
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -227.301976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.301976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.301976 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.104
local terms energy: -77.707368
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -14.071
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: 472
Temperature: 0.900000
Total energy: -350.125923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.125923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.125923 (E_RNA)
where:
Base-Base interactions energy: -232.170
where: short stacking energy: -100.836
Base-Backbone interact. energy: 1.118
local terms energy: -119.073372
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -18.567
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: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -348.610722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.610722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.610722 (E_RNA)
where:
Base-Base interactions energy: -238.695
where: short stacking energy: -106.799
Base-Backbone interact. energy: 0.721
local terms energy: -110.636735
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -14.042
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: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -318.098258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.098258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.098258 (E_RNA)
where:
Base-Base interactions energy: -218.939
where: short stacking energy: -80.064
Base-Backbone interact. energy: 2.049
local terms energy: -101.208014
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -18.979
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: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -283.397691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.397691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.397691 (E_RNA)
where:
Base-Base interactions energy: -185.623
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.120
local terms energy: -97.654411
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -288.017664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.017664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.017664 (E_RNA)
where:
Base-Base interactions energy: -190.020
where: short stacking energy: -80.550
Base-Backbone interact. energy: -0.118
local terms energy: -97.880003
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -25.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -270.479498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.479498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.479498 (E_RNA)
where:
Base-Base interactions energy: -175.617
where: short stacking energy: -89.583
Base-Backbone interact. energy: -0.290
local terms energy: -94.573141
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -251.432834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.432834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.432834 (E_RNA)
where:
Base-Base interactions energy: -161.216
where: short stacking energy: -78.012
Base-Backbone interact. energy: -0.139
local terms energy: -90.077387
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -15.478
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: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -230.477815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.477815 (E_RNA)
where:
Base-Base interactions energy: -148.457
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.177
local terms energy: -81.843614
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -9.279
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: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -242.967709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.967709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.967709 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.499
local terms energy: -97.302280
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -188.390340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.390340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.390340 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.178
local terms energy: -68.600016
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -356.666313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.666313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.666313 (E_RNA)
where:
Base-Base interactions energy: -240.440
where: short stacking energy: -101.680
Base-Backbone interact. energy: -1.097
local terms energy: -115.129433
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -31.654
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: 473
Temperature: 0.950000
Total energy: -340.563307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.563307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.563307 (E_RNA)
where:
Base-Base interactions energy: -234.350
where: short stacking energy: -94.616
Base-Backbone interact. energy: -0.751
local terms energy: -105.462313
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -343.780982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.780982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.780982 (E_RNA)
where:
Base-Base interactions energy: -229.523
where: short stacking energy: -100.413
Base-Backbone interact. energy: -0.643
local terms energy: -113.614439
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -307.876560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.876560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.876560 (E_RNA)
where:
Base-Base interactions energy: -204.600
where: short stacking energy: -92.372
Base-Backbone interact. energy: -1.112
local terms energy: -102.165024
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -277.495439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.495439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.495439 (E_RNA)
where:
Base-Base interactions energy: -170.740
where: short stacking energy: -87.180
Base-Backbone interact. energy: 0.774
local terms energy: -107.529425
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -269.293592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.293592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.293592 (E_RNA)
where:
Base-Base interactions energy: -177.814
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.261
local terms energy: -91.218869
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -255.964774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.964774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.964774 (E_RNA)
where:
Base-Base interactions energy: -165.726
where: short stacking energy: -71.206
Base-Backbone interact. energy: -0.907
local terms energy: -89.331576
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -243.484199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.484199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.484199 (E_RNA)
where:
Base-Base interactions energy: -147.768
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.064
local terms energy: -95.652044
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -209.398188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.398188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.398188 (E_RNA)
where:
Base-Base interactions energy: -130.633
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.049
local terms energy: -78.715522
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -191.295800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.295800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.295800 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.663
local terms energy: -79.882957
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -346.981723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.981723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.981723 (E_RNA)
where:
Base-Base interactions energy: -238.712
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.433
local terms energy: -107.836691
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -12.397
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: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -339.969160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.969160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.969160 (E_RNA)
where:
Base-Base interactions energy: -222.970
where: short stacking energy: -100.462
Base-Backbone interact. energy: -0.413
local terms energy: -116.586579
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -30.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -329.229708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.229708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.229708 (E_RNA)
where:
Base-Base interactions energy: -217.700
where: short stacking energy: -99.149
Base-Backbone interact. energy: -0.104
local terms energy: -111.426138
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -29.725
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: 474
Temperature: 1.050000
Total energy: -316.643157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.643157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.643157 (E_RNA)
where:
Base-Base interactions energy: -208.919
where: short stacking energy: -88.566
Base-Backbone interact. energy: -0.222
local terms energy: -107.503043
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -28.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -264.111201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.111201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.111201 (E_RNA)
where:
Base-Base interactions energy: -167.228
where: short stacking energy: -81.204
Base-Backbone interact. energy: -0.246
local terms energy: -96.637037
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -257.780015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.780015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.780015 (E_RNA)
where:
Base-Base interactions energy: -161.008
where: short stacking energy: -76.065
Base-Backbone interact. energy: 0.599
local terms energy: -97.371917
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -17.627
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -244.272927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.272927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.272927 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.275
local terms energy: -82.176869
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -9.498
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: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -220.635792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.635792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.635792 (E_RNA)
where:
Base-Base interactions energy: -133.528
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.097
local terms energy: -87.010185
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -9.750
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: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -198.505630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.505630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.505630 (E_RNA)
where:
Base-Base interactions energy: -114.619
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.190
local terms energy: -83.697300
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -11.436
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -221.729382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.729382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729382 (E_RNA)
where:
Base-Base interactions energy: -151.663
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.302
local terms energy: -69.764052
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -11.611
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: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -337.698745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.698745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.698745 (E_RNA)
where:
Base-Base interactions energy: -236.413
where: short stacking energy: -89.925
Base-Backbone interact. energy: 0.560
local terms energy: -101.845687
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -329.803715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.803715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.803715 (E_RNA)
where:
Base-Base interactions energy: -225.886
where: short stacking energy: -104.163
Base-Backbone interact. energy: -0.060
local terms energy: -103.858262
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -26.903
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: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -336.277898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.277898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.277898 (E_RNA)
where:
Base-Base interactions energy: -223.627
where: short stacking energy: -98.142
Base-Backbone interact. energy: -0.493
local terms energy: -112.158234
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -19.276
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: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -332.236171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.236171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.236171 (E_RNA)
where:
Base-Base interactions energy: -222.402
where: short stacking energy: -104.210
Base-Backbone interact. energy: -0.213
local terms energy: -109.620855
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -30.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -255.816644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.816644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.816644 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -69.249
Base-Backbone interact. energy: -0.310
local terms energy: -95.119538
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -10.600
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: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -257.213274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.213274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.213274 (E_RNA)
where:
Base-Base interactions energy: -171.915
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.716
local terms energy: -84.582793
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -14.338
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: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -258.485932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.485932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.485932 (E_RNA)
where:
Base-Base interactions energy: -168.464
where: short stacking energy: -58.918
Base-Backbone interact. energy: 0.912
local terms energy: -90.933902
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -17.592
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: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -223.124587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124587 (E_RNA)
where:
Base-Base interactions energy: -140.030
where: short stacking energy: -52.954
Base-Backbone interact. energy: 2.524
local terms energy: -85.618857
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -8.687
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: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -200.868711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.868711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.868711 (E_RNA)
where:
Base-Base interactions energy: -118.614
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.165
local terms energy: -82.089922
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -11.188
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: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -206.900255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900255 (E_RNA)
where:
Base-Base interactions energy: -130.365
where: short stacking energy: -67.221
Base-Backbone interact. energy: -0.136
local terms energy: -76.400120
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -15.059
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -344.514024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.514024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.514024 (E_RNA)
where:
Base-Base interactions energy: -238.417
where: short stacking energy: -93.015
Base-Backbone interact. energy: -0.432
local terms energy: -105.665089
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -17.319
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: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -336.194200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.194200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.194200 (E_RNA)
where:
Base-Base interactions energy: -226.122
where: short stacking energy: -90.791
Base-Backbone interact. energy: -2.002
local terms energy: -108.070154
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -329.040551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.040551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.040551 (E_RNA)
where:
Base-Base interactions energy: -218.822
where: short stacking energy: -99.766
Base-Backbone interact. energy: -0.268
local terms energy: -109.951084
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -29.296
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: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -328.945061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.945061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.945061 (E_RNA)
where:
Base-Base interactions energy: -222.081
where: short stacking energy: -102.463
Base-Backbone interact. energy: -0.194
local terms energy: -106.670057
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -26.066
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: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -271.801831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.801831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.801831 (E_RNA)
where:
Base-Base interactions energy: -182.672
where: short stacking energy: -87.508
Base-Backbone interact. energy: -0.339
local terms energy: -88.791505
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -268.468051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.468051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.468051 (E_RNA)
where:
Base-Base interactions energy: -162.564
where: short stacking energy: -78.908
Base-Backbone interact. energy: 0.831
local terms energy: -106.735707
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -218.925988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.925988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925988 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -65.588
Base-Backbone interact. energy: 0.139
local terms energy: -82.898600
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -256.013348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.013348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.013348 (E_RNA)
where:
Base-Base interactions energy: -160.101
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.916
local terms energy: -94.996588
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -12.355
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: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -194.109613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.109613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.109613 (E_RNA)
where:
Base-Base interactions energy: -117.987
where: short stacking energy: -62.264
Base-Backbone interact. energy: 1.615
local terms energy: -77.738060
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -7.934
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: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -213.647274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.647274 (E_RNA)
where:
Base-Base interactions energy: -131.182
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.469
local terms energy: -81.995868
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -357.259633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.259633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.259633 (E_RNA)
where:
Base-Base interactions energy: -246.974
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.704
local terms energy: -109.582502
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -27.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -351.857846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.857846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.857846 (E_RNA)
where:
Base-Base interactions energy: -239.988
where: short stacking energy: -99.257
Base-Backbone interact. energy: -0.921
local terms energy: -110.949196
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -26.606
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: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -338.058343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.058343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.058343 (E_RNA)
where:
Base-Base interactions energy: -225.509
where: short stacking energy: -98.246
Base-Backbone interact. energy: 0.666
local terms energy: -113.215130
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -322.222059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.222059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.222059 (E_RNA)
where:
Base-Base interactions energy: -215.393
where: short stacking energy: -101.775
Base-Backbone interact. energy: 1.205
local terms energy: -108.033500
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -31.395
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: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -270.115526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.115526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.115526 (E_RNA)
where:
Base-Base interactions energy: -167.898
where: short stacking energy: -81.258
Base-Backbone interact. energy: 1.486
local terms energy: -103.703595
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -27.019
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: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -247.100726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.100726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.100726 (E_RNA)
where:
Base-Base interactions energy: -158.040
where: short stacking energy: -70.289
Base-Backbone interact. energy: 0.414
local terms energy: -89.474614
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -16.371
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: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -205.252352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252352 (E_RNA)
where:
Base-Base interactions energy: -129.984
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.184
local terms energy: -75.084329
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -202.750433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750433 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.328
local terms energy: -80.393077
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -11.230
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: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -206.107841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107841 (E_RNA)
where:
Base-Base interactions energy: -129.363
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.236
local terms energy: -76.508482
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -11.830
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: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -192.782653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.782653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.782653 (E_RNA)
where:
Base-Base interactions energy: -122.166
where: short stacking energy: -52.996
Base-Backbone interact. energy: 1.449
local terms energy: -72.066031
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -9.265
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: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -346.840545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.840545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.840545 (E_RNA)
where:
Base-Base interactions energy: -236.735
where: short stacking energy: -96.030
Base-Backbone interact. energy: 0.620
local terms energy: -110.725571
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -342.989357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.989357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.989357 (E_RNA)
where:
Base-Base interactions energy: -235.987
where: short stacking energy: -93.687
Base-Backbone interact. energy: -0.788
local terms energy: -106.213915
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -353.271940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.271940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.271940 (E_RNA)
where:
Base-Base interactions energy: -249.150
where: short stacking energy: -104.265
Base-Backbone interact. energy: -0.611
local terms energy: -103.510670
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -25.210
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: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -327.157833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.157833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.157833 (E_RNA)
where:
Base-Base interactions energy: -232.863
where: short stacking energy: -93.971
Base-Backbone interact. energy: -0.343
local terms energy: -93.952642
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -24.176
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: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -261.978117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.978117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.978117 (E_RNA)
where:
Base-Base interactions energy: -161.401
where: short stacking energy: -79.007
Base-Backbone interact. energy: -0.073
local terms energy: -100.505070
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -266.741654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.741654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.741654 (E_RNA)
where:
Base-Base interactions energy: -167.637
where: short stacking energy: -83.302
Base-Backbone interact. energy: 0.690
local terms energy: -99.794876
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -244.268092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.268092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.268092 (E_RNA)
where:
Base-Base interactions energy: -139.590
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.906
local terms energy: -103.772139
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -208.466228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.466228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.466228 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.833
local terms energy: -61.711724
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -185.099429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.099429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.099429 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -62.155
Base-Backbone interact. energy: 1.556
local terms energy: -72.939254
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -190.518869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.518869 (E_RNA)
where:
Base-Base interactions energy: -111.789
where: short stacking energy: -55.904
Base-Backbone interact. energy: 2.919
local terms energy: -81.649682
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -350.987059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.987059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.987059 (E_RNA)
where:
Base-Base interactions energy: -233.716
where: short stacking energy: -95.885
Base-Backbone interact. energy: -0.352
local terms energy: -116.919149
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -29.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -343.628837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.628837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.628837 (E_RNA)
where:
Base-Base interactions energy: -232.359
where: short stacking energy: -105.536
Base-Backbone interact. energy: -2.034
local terms energy: -109.236332
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -326.189832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.189832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.189832 (E_RNA)
where:
Base-Base interactions energy: -221.448
where: short stacking energy: -99.018
Base-Backbone interact. energy: -1.150
local terms energy: -103.591940
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -13.721
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: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -279.382179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.382179 (E_RNA)
where:
Base-Base interactions energy: -179.639
where: short stacking energy: -90.317
Base-Backbone interact. energy: -0.086
local terms energy: -99.657727
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -320.313360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.313360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.313360 (E_RNA)
where:
Base-Base interactions energy: -220.653
where: short stacking energy: -83.223
Base-Backbone interact. energy: -0.206
local terms energy: -99.454271
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -272.400658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.400658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.400658 (E_RNA)
where:
Base-Base interactions energy: -171.816
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.262
local terms energy: -100.322783
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -248.553856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.553856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.553856 (E_RNA)
where:
Base-Base interactions energy: -159.912
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.176
local terms energy: -88.466189
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -23.505
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: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -200.995178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.995178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.995178 (E_RNA)
where:
Base-Base interactions energy: -117.412
where: short stacking energy: -50.034
Base-Backbone interact. energy: -0.311
local terms energy: -83.272190
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -9.144
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: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -200.750357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.750357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.750357 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.717
local terms energy: -82.924143
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -15.281
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: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -186.146304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.146304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.146304 (E_RNA)
where:
Base-Base interactions energy: -105.241
where: short stacking energy: -51.959
Base-Backbone interact. energy: 1.838
local terms energy: -82.743069
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -366.794878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.794878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.794878 (E_RNA)
where:
Base-Base interactions energy: -241.721
where: short stacking energy: -110.635
Base-Backbone interact. energy: -2.017
local terms energy: -123.056776
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -339.910615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.910615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.910615 (E_RNA)
where:
Base-Base interactions energy: -232.079
where: short stacking energy: -97.191
Base-Backbone interact. energy: -2.465
local terms energy: -105.366473
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -24.584
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: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -295.275569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.275569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.275569 (E_RNA)
where:
Base-Base interactions energy: -186.377
where: short stacking energy: -85.466
Base-Backbone interact. energy: 0.033
local terms energy: -108.931746
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -23.951
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: 480
Temperature: 1.050000
Total energy: -325.629979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.629979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.629979 (E_RNA)
where:
Base-Base interactions energy: -220.867
where: short stacking energy: -94.653
Base-Backbone interact. energy: -0.418
local terms energy: -104.344816
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -281.845353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.845353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.845353 (E_RNA)
where:
Base-Base interactions energy: -181.059
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.317
local terms energy: -100.469716
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -19.675
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -307.986994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.986994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.986994 (E_RNA)
where:
Base-Base interactions energy: -208.539
where: short stacking energy: -87.481
Base-Backbone interact. energy: 2.411
local terms energy: -101.859265
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -257.657955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.657955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.657955 (E_RNA)
where:
Base-Base interactions energy: -167.308
where: short stacking energy: -75.149
Base-Backbone interact. energy: 0.372
local terms energy: -90.721254
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -205.431332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.431332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.431332 (E_RNA)
where:
Base-Base interactions energy: -120.388
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.290
local terms energy: -84.754030
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -220.477790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477790 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.191
local terms energy: -73.151511
where:
bonds (distance) C4'-P energy: -3.846
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -10.543
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: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -195.537368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.537368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.537368 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.321
local terms energy: -77.775713
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -354.224912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.224912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.224912 (E_RNA)
where:
Base-Base interactions energy: -237.215
where: short stacking energy: -106.197
Base-Backbone interact. energy: -0.380
local terms energy: -116.630573
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -28.310
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: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -348.618318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.618318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.618318 (E_RNA)
where:
Base-Base interactions energy: -233.778
where: short stacking energy: -93.822
Base-Backbone interact. energy: -0.974
local terms energy: -113.866547
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -28.623
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -290.299363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.299363 (E_RNA)
where:
Base-Base interactions energy: -192.112
where: short stacking energy: -99.590
Base-Backbone interact. energy: -0.019
local terms energy: -98.168998
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -22.391
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: 481
Temperature: 1.050000
Total energy: -307.747468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.747468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.747468 (E_RNA)
where:
Base-Base interactions energy: -208.943
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.095
local terms energy: -98.709257
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -25.630
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: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -286.511363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.511363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.511363 (E_RNA)
where:
Base-Base interactions energy: -199.549
where: short stacking energy: -85.774
Base-Backbone interact. energy: -1.374
local terms energy: -85.588478
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -306.128228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.128228 (E_RNA)
where:
Base-Base interactions energy: -205.665
where: short stacking energy: -96.717
Base-Backbone interact. energy: -0.302
local terms energy: -100.161166
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -25.763
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: 481
Temperature: 1.200000
Total energy: -244.516745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.516745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.516745 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -72.646
Base-Backbone interact. energy: -0.147
local terms energy: -88.109838
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -16.194
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: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -243.673460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.673460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.673460 (E_RNA)
where:
Base-Base interactions energy: -157.108
where: short stacking energy: -51.914
Base-Backbone interact. energy: 0.381
local terms energy: -86.946970
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -241.841277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.841277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.841277 (E_RNA)
where:
Base-Base interactions energy: -156.679
where: short stacking energy: -77.885
Base-Backbone interact. energy: -0.590
local terms energy: -84.572051
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -220.226135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226135 (E_RNA)
where:
Base-Base interactions energy: -145.981
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.116
local terms energy: -74.128994
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -336.029195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.029195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.029195 (E_RNA)
where:
Base-Base interactions energy: -226.153
where: short stacking energy: -91.280
Base-Backbone interact. energy: -1.241
local terms energy: -108.635285
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -21.101
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -358.978342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.978342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.978342 (E_RNA)
where:
Base-Base interactions energy: -238.909
where: short stacking energy: -104.274
Base-Backbone interact. energy: -1.160
local terms energy: -118.909533
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -30.278
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -317.718376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.718376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.718376 (E_RNA)
where:
Base-Base interactions energy: -207.788
where: short stacking energy: -84.513
Base-Backbone interact. energy: -0.201
local terms energy: -109.729022
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -293.336891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.336891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.336891 (E_RNA)
where:
Base-Base interactions energy: -175.621
where: short stacking energy: -96.905
Base-Backbone interact. energy: -0.384
local terms energy: -117.331780
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -28.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -293.187777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.187777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.187777 (E_RNA)
where:
Base-Base interactions energy: -205.749
where: short stacking energy: -83.315
Base-Backbone interact. energy: 1.481
local terms energy: -88.920255
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -285.151201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.151201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.151201 (E_RNA)
where:
Base-Base interactions energy: -181.901
where: short stacking energy: -91.117
Base-Backbone interact. energy: 0.738
local terms energy: -103.988167
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -23.707
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: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -236.799829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.799829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.799829 (E_RNA)
where:
Base-Base interactions energy: -147.639
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.059
local terms energy: -89.101626
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -259.718354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.718354 (E_RNA)
where:
Base-Base interactions energy: -166.506
where: short stacking energy: -79.899
Base-Backbone interact. energy: 0.360
local terms energy: -93.571634
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -228.123331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.123331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123331 (E_RNA)
where:
Base-Base interactions energy: -144.324
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.112
local terms energy: -83.687423
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -215.038293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.038293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.038293 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.315
local terms energy: -65.155367
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -12.924
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: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -355.111174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.111174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.111174 (E_RNA)
where:
Base-Base interactions energy: -242.111
where: short stacking energy: -95.613
Base-Backbone interact. energy: -0.321
local terms energy: -112.678970
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -27.012
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: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -352.762709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.762709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.762709 (E_RNA)
where:
Base-Base interactions energy: -231.295
where: short stacking energy: -107.893
Base-Backbone interact. energy: -0.136
local terms energy: -121.332066
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -31.568
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: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -344.411953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.411953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.411953 (E_RNA)
where:
Base-Base interactions energy: -244.703
where: short stacking energy: -85.065
Base-Backbone interact. energy: -0.995
local terms energy: -98.714149
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -16.024
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: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -311.767080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.767080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.767080 (E_RNA)
where:
Base-Base interactions energy: -205.158
where: short stacking energy: -95.328
Base-Backbone interact. energy: 0.050
local terms energy: -106.659746
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -26.804
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: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -274.032837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.032837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.032837 (E_RNA)
where:
Base-Base interactions energy: -172.692
where: short stacking energy: -84.195
Base-Backbone interact. energy: -0.079
local terms energy: -101.261688
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -265.444092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.444092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.444092 (E_RNA)
where:
Base-Base interactions energy: -172.113
where: short stacking energy: -73.735
Base-Backbone interact. energy: 2.376
local terms energy: -95.706451
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -253.460852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.460852 (E_RNA)
where:
Base-Base interactions energy: -174.754
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.125
local terms energy: -78.582301
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -213.224733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.224733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.224733 (E_RNA)
where:
Base-Base interactions energy: -125.428
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.177
local terms energy: -87.619511
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -12.766
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: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -209.250856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.250856 (E_RNA)
where:
Base-Base interactions energy: -122.806
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.077
local terms energy: -86.368030
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -10.846
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: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -181.776213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.776213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.776213 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -37.995
Base-Backbone interact. energy: -1.304
local terms energy: -80.827019
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -2.957
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: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -347.066178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.066178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.066178 (E_RNA)
where:
Base-Base interactions energy: -238.825
where: short stacking energy: -99.172
Base-Backbone interact. energy: 0.820
local terms energy: -109.060834
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -352.681307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.681307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.681307 (E_RNA)
where:
Base-Base interactions energy: -241.887
where: short stacking energy: -93.455
Base-Backbone interact. energy: -0.966
local terms energy: -109.828232
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -22.735
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: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -331.144672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.144672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.144672 (E_RNA)
where:
Base-Base interactions energy: -231.368
where: short stacking energy: -79.914
Base-Backbone interact. energy: -0.130
local terms energy: -99.646575
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -327.818217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.818217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.818217 (E_RNA)
where:
Base-Base interactions energy: -223.580
where: short stacking energy: -87.707
Base-Backbone interact. energy: -0.337
local terms energy: -103.901027
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -301.817424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.817424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.817424 (E_RNA)
where:
Base-Base interactions energy: -201.533
where: short stacking energy: -88.773
Base-Backbone interact. energy: -2.129
local terms energy: -98.155669
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -17.129
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: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -261.667005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.667005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.667005 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.058
local terms energy: -95.944593
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -16.477
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: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -260.408826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.408826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.408826 (E_RNA)
where:
Base-Base interactions energy: -175.406
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.436
local terms energy: -84.566428
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -258.361737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.361737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.361737 (E_RNA)
where:
Base-Base interactions energy: -173.405
where: short stacking energy: -76.013
Base-Backbone interact. energy: -1.242
local terms energy: -83.714700
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -191.238064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238064 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -51.574
Base-Backbone interact. energy: 2.180
local terms energy: -83.508286
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -213.388289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388289 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -53.924
Base-Backbone interact. energy: 0.016
local terms energy: -75.176768
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -362.757674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.757674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.757674 (E_RNA)
where:
Base-Base interactions energy: -241.930
where: short stacking energy: -108.854
Base-Backbone interact. energy: -0.440
local terms energy: -120.387737
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -346.111195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.111195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.111195 (E_RNA)
where:
Base-Base interactions energy: -236.909
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.595
local terms energy: -108.607922
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -338.318860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.318860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.318860 (E_RNA)
where:
Base-Base interactions energy: -232.687
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.116
local terms energy: -105.516160
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -349.341960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.341960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.341960 (E_RNA)
where:
Base-Base interactions energy: -233.489
where: short stacking energy: -93.233
Base-Backbone interact. energy: -0.865
local terms energy: -114.987671
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -27.182
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: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -315.979041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.979041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.979041 (E_RNA)
where:
Base-Base interactions energy: -222.170
where: short stacking energy: -84.682
Base-Backbone interact. energy: -0.209
local terms energy: -93.599526
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -13.973
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: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -246.510518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.510518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.510518 (E_RNA)
where:
Base-Base interactions energy: -158.068
where: short stacking energy: -70.303
Base-Backbone interact. energy: 0.059
local terms energy: -88.501162
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -12.427
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: 485
Temperature: 1.200000
Total energy: -248.117037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.117037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.117037 (E_RNA)
where:
Base-Base interactions energy: -161.234
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.218
local terms energy: -86.664474
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -247.985440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.985440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.985440 (E_RNA)
where:
Base-Base interactions energy: -163.968
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.291
local terms energy: -83.726456
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -195.187765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.187765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.187765 (E_RNA)
where:
Base-Base interactions energy: -115.710
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.003
local terms energy: -79.474882
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -11.475
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: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -198.024055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024055 (E_RNA)
where:
Base-Base interactions energy: -124.893
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.948
local terms energy: -72.182730
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -352.869235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.869235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.869235 (E_RNA)
where:
Base-Base interactions energy: -241.548
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.602
local terms energy: -110.719410
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -23.476
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: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -348.119789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.119789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.119789 (E_RNA)
where:
Base-Base interactions energy: -228.986
where: short stacking energy: -107.380
Base-Backbone interact. energy: -0.324
local terms energy: -118.809222
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -26.625
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -32.149
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: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -335.313028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.313028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.313028 (E_RNA)
where:
Base-Base interactions energy: -228.241
where: short stacking energy: -79.493
Base-Backbone interact. energy: -0.794
local terms energy: -106.278061
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -309.506590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.506590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.506590 (E_RNA)
where:
Base-Base interactions energy: -199.902
where: short stacking energy: -94.663
Base-Backbone interact. energy: -0.789
local terms energy: -108.815304
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -297.138681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.138681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.138681 (E_RNA)
where:
Base-Base interactions energy: -198.870
where: short stacking energy: -93.040
Base-Backbone interact. energy: -0.043
local terms energy: -98.224930
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -14.002
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: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -257.356115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.356115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.356115 (E_RNA)
where:
Base-Base interactions energy: -164.590
where: short stacking energy: -73.280
Base-Backbone interact. energy: -0.332
local terms energy: -92.434688
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -223.800632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800632 (E_RNA)
where:
Base-Base interactions energy: -148.552
where: short stacking energy: -74.026
Base-Backbone interact. energy: 1.086
local terms energy: -76.335082
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -241.900283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.900283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.900283 (E_RNA)
where:
Base-Base interactions energy: -151.049
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.245
local terms energy: -90.606894
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -209.450301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.450301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.450301 (E_RNA)
where:
Base-Base interactions energy: -117.315
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.440
local terms energy: -91.694810
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -7.287
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: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -227.827168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.827168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.827168 (E_RNA)
where:
Base-Base interactions energy: -158.243
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.256
local terms energy: -69.328778
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.305
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: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -344.599557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.599557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.599557 (E_RNA)
where:
Base-Base interactions energy: -234.985
where: short stacking energy: -88.564
Base-Backbone interact. energy: 0.160
local terms energy: -109.774017
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -338.658991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.658991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.658991 (E_RNA)
where:
Base-Base interactions energy: -229.705
where: short stacking energy: -87.118
Base-Backbone interact. energy: -1.245
local terms energy: -107.709618
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -335.296723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.296723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.296723 (E_RNA)
where:
Base-Base interactions energy: -227.607
where: short stacking energy: -102.749
Base-Backbone interact. energy: -0.287
local terms energy: -107.402467
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -304.074165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.074165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.074165 (E_RNA)
where:
Base-Base interactions energy: -196.039
where: short stacking energy: -97.720
Base-Backbone interact. energy: -0.099
local terms energy: -107.936289
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -32.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -284.984678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.984678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.984678 (E_RNA)
where:
Base-Base interactions energy: -179.796
where: short stacking energy: -76.815
Base-Backbone interact. energy: -0.373
local terms energy: -104.815134
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -259.672484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.672484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.672484 (E_RNA)
where:
Base-Base interactions energy: -166.689
where: short stacking energy: -81.456
Base-Backbone interact. energy: -0.285
local terms energy: -92.697983
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -15.651
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: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -205.862101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.862101 (E_RNA)
where:
Base-Base interactions energy: -122.786
where: short stacking energy: -57.974
Base-Backbone interact. energy: 1.102
local terms energy: -84.178362
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -13.728
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: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -236.389697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.389697 (E_RNA)
where:
Base-Base interactions energy: -149.607
where: short stacking energy: -62.045
Base-Backbone interact. energy: 0.357
local terms energy: -87.139104
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -222.446576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.446576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446576 (E_RNA)
where:
Base-Base interactions energy: -143.951
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.221
local terms energy: -78.274434
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -174.167618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.167618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.167618 (E_RNA)
where:
Base-Base interactions energy: -113.658
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.186
local terms energy: -60.323489
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: 2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -352.469452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.469452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.469452 (E_RNA)
where:
Base-Base interactions energy: -244.180
where: short stacking energy: -88.834
Base-Backbone interact. energy: -0.764
local terms energy: -107.525766
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -347.187541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.187541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.187541 (E_RNA)
where:
Base-Base interactions energy: -237.373
where: short stacking energy: -92.376
Base-Backbone interact. energy: -0.885
local terms energy: -108.929564
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -345.079704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.079704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.079704 (E_RNA)
where:
Base-Base interactions energy: -229.369
where: short stacking energy: -101.624
Base-Backbone interact. energy: -0.150
local terms energy: -115.560675
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -26.730
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: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -279.427417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.427417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.427417 (E_RNA)
where:
Base-Base interactions energy: -173.048
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.364
local terms energy: -106.014759
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -282.396690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.396690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.396690 (E_RNA)
where:
Base-Base interactions energy: -183.393
where: short stacking energy: -98.459
Base-Backbone interact. energy: -0.013
local terms energy: -98.991137
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -13.851
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: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -265.361284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.361284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.361284 (E_RNA)
where:
Base-Base interactions energy: -171.632
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.233
local terms energy: -93.496662
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -236.627083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.627083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.627083 (E_RNA)
where:
Base-Base interactions energy: -157.974
where: short stacking energy: -86.605
Base-Backbone interact. energy: -0.080
local terms energy: -78.572785
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -226.587114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.587114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.587114 (E_RNA)
where:
Base-Base interactions energy: -142.146
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.336
local terms energy: -84.105443
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -188.887199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.887199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.887199 (E_RNA)
where:
Base-Base interactions energy: -124.007
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.369
local terms energy: -64.510879
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -11.228
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: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -224.442572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.442572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.442572 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.257
local terms energy: -85.432284
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -13.098
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: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -340.003231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.003231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.003231 (E_RNA)
where:
Base-Base interactions energy: -226.937
where: short stacking energy: -98.247
Base-Backbone interact. energy: -1.649
local terms energy: -111.416989
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -347.345189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.345189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.345189 (E_RNA)
where:
Base-Base interactions energy: -234.092
where: short stacking energy: -111.408
Base-Backbone interact. energy: -0.509
local terms energy: -112.744574
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -31.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -343.244477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.244477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.244477 (E_RNA)
where:
Base-Base interactions energy: -231.176
where: short stacking energy: -106.515
Base-Backbone interact. energy: -0.020
local terms energy: -112.049012
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -18.945
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: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -266.384316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.384316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.384316 (E_RNA)
where:
Base-Base interactions energy: -167.704
where: short stacking energy: -85.207
Base-Backbone interact. energy: 1.448
local terms energy: -100.128812
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -24.255
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: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -283.011964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.011964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.011964 (E_RNA)
where:
Base-Base interactions energy: -181.309
where: short stacking energy: -82.266
Base-Backbone interact. energy: -0.022
local terms energy: -101.680249
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -28.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -229.741598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.741598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741598 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -65.225
Base-Backbone interact. energy: 0.337
local terms energy: -86.369940
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -9.338
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: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -246.478014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.478014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.478014 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.488
local terms energy: -99.312580
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -213.460267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.460267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.460267 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.862
local terms energy: -77.360828
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -12.222
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: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -245.934018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.934018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.934018 (E_RNA)
where:
Base-Base interactions energy: -167.033
where: short stacking energy: -76.471
Base-Backbone interact. energy: 0.711
local terms energy: -79.611048
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -13.231
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: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -243.374232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.374232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.374232 (E_RNA)
where:
Base-Base interactions energy: -154.156
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.196
local terms energy: -89.022906
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -338.613142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.613142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.613142 (E_RNA)
where:
Base-Base interactions energy: -230.714
where: short stacking energy: -102.680
Base-Backbone interact. energy: -0.335
local terms energy: -107.563995
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -338.911119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.911119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.911119 (E_RNA)
where:
Base-Base interactions energy: -223.048
where: short stacking energy: -101.366
Base-Backbone interact. energy: -0.899
local terms energy: -114.963400
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -16.766
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -338.285820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.285820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.285820 (E_RNA)
where:
Base-Base interactions energy: -226.324
where: short stacking energy: -102.002
Base-Backbone interact. energy: -0.055
local terms energy: -111.906934
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -15.007
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -300.928523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.928523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.928523 (E_RNA)
where:
Base-Base interactions energy: -193.354
where: short stacking energy: -80.957
Base-Backbone interact. energy: -0.503
local terms energy: -107.071757
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -269.057156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.057156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.057156 (E_RNA)
where:
Base-Base interactions energy: -170.971
where: short stacking energy: -85.696
Base-Backbone interact. energy: 0.226
local terms energy: -98.312194
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -283.515672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.515672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.515672 (E_RNA)
where:
Base-Base interactions energy: -187.835
where: short stacking energy: -88.362
Base-Backbone interact. energy: -1.485
local terms energy: -94.195201
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -266.061175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.061175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.061175 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -79.460
Base-Backbone interact. energy: -0.166
local terms energy: -93.685928
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -196.357110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.357110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.357110 (E_RNA)
where:
Base-Base interactions energy: -116.429
where: short stacking energy: -48.229
Base-Backbone interact. energy: -0.478
local terms energy: -79.449687
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -240.095863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.095863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.095863 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.069
local terms energy: -94.487900
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -196.696332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.696332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.696332 (E_RNA)
where:
Base-Base interactions energy: -115.011
where: short stacking energy: -43.560
Base-Backbone interact. energy: 0.062
local terms energy: -81.747937
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -350.628047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.628047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.628047 (E_RNA)
where:
Base-Base interactions energy: -240.771
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.359
local terms energy: -109.498521
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -25.778
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -11.935
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: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -337.818921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.818921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.818921 (E_RNA)
where:
Base-Base interactions energy: -222.252
where: short stacking energy: -99.897
Base-Backbone interact. energy: -0.345
local terms energy: -115.221770
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -26.301
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -338.642773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.642773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.642773 (E_RNA)
where:
Base-Base interactions energy: -232.206
where: short stacking energy: -93.874
Base-Backbone interact. energy: 0.226
local terms energy: -106.663502
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -292.444384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.444384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.444384 (E_RNA)
where:
Base-Base interactions energy: -195.809
where: short stacking energy: -99.671
Base-Backbone interact. energy: -0.118
local terms energy: -96.516969
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -288.015390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.015390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.015390 (E_RNA)
where:
Base-Base interactions energy: -181.584
where: short stacking energy: -95.868
Base-Backbone interact. energy: -0.108
local terms energy: -106.323146
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -256.255167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.255167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.255167 (E_RNA)
where:
Base-Base interactions energy: -158.841
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.068
local terms energy: -97.346176
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -16.319
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: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -262.043974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.043974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.043974 (E_RNA)
where:
Base-Base interactions energy: -174.227
where: short stacking energy: -81.159
Base-Backbone interact. energy: -0.209
local terms energy: -87.608656
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -253.528507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.528507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.528507 (E_RNA)
where:
Base-Base interactions energy: -165.925
where: short stacking energy: -69.631
Base-Backbone interact. energy: -1.567
local terms energy: -86.036961
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.033
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: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -190.827705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827705 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.474
local terms energy: -80.891522
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -186.058293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.058293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.058293 (E_RNA)
where:
Base-Base interactions energy: -96.987
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.405
local terms energy: -88.665893
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -13.653
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: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -353.366108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.366108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.366108 (E_RNA)
where:
Base-Base interactions energy: -241.496
where: short stacking energy: -91.504
Base-Backbone interact. energy: 0.113
local terms energy: -111.983034
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -26.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -360.640122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.640122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.640122 (E_RNA)
where:
Base-Base interactions energy: -235.577
where: short stacking energy: -102.017
Base-Backbone interact. energy: -0.299
local terms energy: -124.763966
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -28.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -314.377537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.377537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.377537 (E_RNA)
where:
Base-Base interactions energy: -218.849
where: short stacking energy: -96.596
Base-Backbone interact. energy: -0.534
local terms energy: -94.994493
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -278.402667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402667 (E_RNA)
where:
Base-Base interactions energy: -178.253
where: short stacking energy: -85.901
Base-Backbone interact. energy: -0.187
local terms energy: -99.962815
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -15.783
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: 492
Temperature: 1.100000
Total energy: -278.820862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.820862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.820862 (E_RNA)
where:
Base-Base interactions energy: -174.919
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.260
local terms energy: -103.641667
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -279.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.623369 (E_RNA)
where:
Base-Base interactions energy: -183.966
where: short stacking energy: -85.609
Base-Backbone interact. energy: -2.779
local terms energy: -92.877831
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -248.682013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.682013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.682013 (E_RNA)
where:
Base-Base interactions energy: -161.266
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.615
local terms energy: -86.801339
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -248.440663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.440663 (E_RNA)
where:
Base-Base interactions energy: -147.375
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.327
local terms energy: -100.739012
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -181.805652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.805652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.805652 (E_RNA)
where:
Base-Base interactions energy: -106.962
where: short stacking energy: -54.642
Base-Backbone interact. energy: -0.347
local terms energy: -74.495930
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -202.100199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.100199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.100199 (E_RNA)
where:
Base-Base interactions energy: -116.270
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.269
local terms energy: -85.561482
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -354.844790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.844790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.844790 (E_RNA)
where:
Base-Base interactions energy: -255.695
where: short stacking energy: -92.998
Base-Backbone interact. energy: -0.902
local terms energy: -98.247709
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -24.379
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: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -352.892397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.892397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.892397 (E_RNA)
where:
Base-Base interactions energy: -233.944
where: short stacking energy: -106.138
Base-Backbone interact. energy: -0.372
local terms energy: -118.575917
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -29.821
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: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -328.371890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.371890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.371890 (E_RNA)
where:
Base-Base interactions energy: -224.584
where: short stacking energy: -96.464
Base-Backbone interact. energy: -0.325
local terms energy: -103.463286
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -27.774
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: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -314.433267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.433267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.433267 (E_RNA)
where:
Base-Base interactions energy: -211.112
where: short stacking energy: -81.436
Base-Backbone interact. energy: -0.132
local terms energy: -103.188764
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -23.223
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: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -279.154706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.154706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.154706 (E_RNA)
where:
Base-Base interactions energy: -181.870
where: short stacking energy: -99.372
Base-Backbone interact. energy: -0.952
local terms energy: -96.331795
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -281.793866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.793866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.793866 (E_RNA)
where:
Base-Base interactions energy: -188.966
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.729
local terms energy: -92.099219
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -249.938744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.938744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.938744 (E_RNA)
where:
Base-Base interactions energy: -158.569
where: short stacking energy: -63.943
Base-Backbone interact. energy: 0.986
local terms energy: -92.355365
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -15.848
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: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -242.901979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.901979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.901979 (E_RNA)
where:
Base-Base interactions energy: -163.049
where: short stacking energy: -73.174
Base-Backbone interact. energy: 0.012
local terms energy: -79.865168
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -16.196
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: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -190.623342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.623342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.623342 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.391
local terms energy: -77.593697
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -183.584311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.584311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.584311 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.168
local terms energy: -72.811704
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -357.550298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.550298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.550298 (E_RNA)
where:
Base-Base interactions energy: -242.131
where: short stacking energy: -109.829
Base-Backbone interact. energy: -0.611
local terms energy: -114.807883
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -350.330656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.330656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.330656 (E_RNA)
where:
Base-Base interactions energy: -250.679
where: short stacking energy: -85.663
Base-Backbone interact. energy: -0.931
local terms energy: -98.720433
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -329.934403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.934403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.934403 (E_RNA)
where:
Base-Base interactions energy: -231.292
where: short stacking energy: -93.246
Base-Backbone interact. energy: -0.116
local terms energy: -98.526544
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -20.818
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: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -308.780044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.780044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.780044 (E_RNA)
where:
Base-Base interactions energy: -198.407
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.638
local terms energy: -109.734466
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -270.962353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.962353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.962353 (E_RNA)
where:
Base-Base interactions energy: -170.917
where: short stacking energy: -79.651
Base-Backbone interact. energy: -0.582
local terms energy: -99.463876
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -19.861
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -275.703347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.703347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.703347 (E_RNA)
where:
Base-Base interactions energy: -173.948
where: short stacking energy: -88.033
Base-Backbone interact. energy: 1.146
local terms energy: -102.901822
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -23.647
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: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -255.043907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.043907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.043907 (E_RNA)
where:
Base-Base interactions energy: -160.009
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.138
local terms energy: -94.897149
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -18.459
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -243.863832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.863832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.863832 (E_RNA)
where:
Base-Base interactions energy: -151.357
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.283
local terms energy: -92.223150
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -188.024100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.024100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.024100 (E_RNA)
where:
Base-Base interactions energy: -115.583
where: short stacking energy: -46.181
Base-Backbone interact. energy: -0.770
local terms energy: -71.671438
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -191.355937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355937 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.352
local terms energy: -66.914207
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -367.579426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.579426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.579426 (E_RNA)
where:
Base-Base interactions energy: -244.276
where: short stacking energy: -107.579
Base-Backbone interact. energy: -1.935
local terms energy: -121.368287
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -31.743
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: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -345.334351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.334351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.334351 (E_RNA)
where:
Base-Base interactions energy: -238.243
where: short stacking energy: -104.955
Base-Backbone interact. energy: 0.725
local terms energy: -107.816324
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -24.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -343.023058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.023058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.023058 (E_RNA)
where:
Base-Base interactions energy: -237.398
where: short stacking energy: -92.714
Base-Backbone interact. energy: -0.095
local terms energy: -105.529461
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -24.563
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: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -319.715194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.715194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.715194 (E_RNA)
where:
Base-Base interactions energy: -210.325
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.253
local terms energy: -109.136882
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -27.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -276.765362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.765362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.765362 (E_RNA)
where:
Base-Base interactions energy: -171.914
where: short stacking energy: -86.294
Base-Backbone interact. energy: -0.003
local terms energy: -104.848823
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -269.722042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.722042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.722042 (E_RNA)
where:
Base-Base interactions energy: -167.333
where: short stacking energy: -85.236
Base-Backbone interact. energy: 0.531
local terms energy: -102.919676
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -247.985209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.985209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.985209 (E_RNA)
where:
Base-Base interactions energy: -157.401
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.085
local terms energy: -90.498804
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -13.201
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: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -241.664051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.664051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.664051 (E_RNA)
where:
Base-Base interactions energy: -162.663
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.331
local terms energy: -78.670300
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -12.208
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: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -212.905955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.905955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.905955 (E_RNA)
where:
Base-Base interactions energy: -132.139
where: short stacking energy: -74.761
Base-Backbone interact. energy: 0.593
local terms energy: -81.359996
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -180.288069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.288069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.288069 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -50.300
Base-Backbone interact. energy: 0.977
local terms energy: -68.168830
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -354.253429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.253429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.253429 (E_RNA)
where:
Base-Base interactions energy: -234.147
where: short stacking energy: -105.790
Base-Backbone interact. energy: -1.001
local terms energy: -119.105196
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -19.506
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: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -333.598531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.598531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.598531 (E_RNA)
where:
Base-Base interactions energy: -233.658
where: short stacking energy: -96.500
Base-Backbone interact. energy: -0.107
local terms energy: -99.832915
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -287.713936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.713936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713936 (E_RNA)
where:
Base-Base interactions energy: -187.992
where: short stacking energy: -103.023
Base-Backbone interact. energy: -0.950
local terms energy: -98.771501
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -26.946
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: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -331.025741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.025741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.025741 (E_RNA)
where:
Base-Base interactions energy: -234.329
where: short stacking energy: -82.368
Base-Backbone interact. energy: -0.551
local terms energy: -96.145971
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -278.902301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.902301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.902301 (E_RNA)
where:
Base-Base interactions energy: -182.037
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.852
local terms energy: -96.013839
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -277.419975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.419975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.419975 (E_RNA)
where:
Base-Base interactions energy: -175.287
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.872
local terms energy: -101.261146
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -243.309364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.309364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.309364 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.343
local terms energy: -88.697904
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -240.445172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.445172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.445172 (E_RNA)
where:
Base-Base interactions energy: -148.519
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.839
local terms energy: -91.086461
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -11.455
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: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -201.224443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224443 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -52.904
Base-Backbone interact. energy: 0.013
local terms energy: -76.842228
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.016
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: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -167.342232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.342232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.342232 (E_RNA)
where:
Base-Base interactions energy: -95.554
where: short stacking energy: -40.625
Base-Backbone interact. energy: 1.402
local terms energy: -73.190016
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -8.657
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: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -350.247985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.247985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.247985 (E_RNA)
where:
Base-Base interactions energy: -236.744
where: short stacking energy: -102.736
Base-Backbone interact. energy: 0.695
local terms energy: -114.198458
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -18.642
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: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -338.827122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.827122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.827122 (E_RNA)
where:
Base-Base interactions energy: -226.685
where: short stacking energy: -98.926
Base-Backbone interact. energy: -0.937
local terms energy: -111.204976
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -296.086770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.086770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.086770 (E_RNA)
where:
Base-Base interactions energy: -190.755
where: short stacking energy: -98.740
Base-Backbone interact. energy: 0.176
local terms energy: -105.507583
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -327.175101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.175101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.175101 (E_RNA)
where:
Base-Base interactions energy: -215.560
where: short stacking energy: -88.865
Base-Backbone interact. energy: -0.946
local terms energy: -110.669302
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -28.925
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: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -283.375859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.375859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.375859 (E_RNA)
where:
Base-Base interactions energy: -174.309
where: short stacking energy: -77.761
Base-Backbone interact. energy: -0.352
local terms energy: -108.715259
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -286.989498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.989498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.989498 (E_RNA)
where:
Base-Base interactions energy: -202.270
where: short stacking energy: -72.692
Base-Backbone interact. energy: -2.034
local terms energy: -82.685801
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -13.433
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: 497
Temperature: 1.200000
Total energy: -264.253665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.253665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.253665 (E_RNA)
where:
Base-Base interactions energy: -173.746
where: short stacking energy: -81.507
Base-Backbone interact. energy: -0.294
local terms energy: -90.213111
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -10.055
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: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -243.740824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.740824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.740824 (E_RNA)
where:
Base-Base interactions energy: -157.767
where: short stacking energy: -75.093
Base-Backbone interact. energy: -0.172
local terms energy: -85.802571
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -19.774
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: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -211.675637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.675637 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -60.450
Base-Backbone interact. energy: 0.784
local terms energy: -79.122598
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -196.356194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.356194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.356194 (E_RNA)
where:
Base-Base interactions energy: -116.430
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.574
local terms energy: -79.352429
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -18.020
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: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -339.869932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.869932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.869932 (E_RNA)
where:
Base-Base interactions energy: -222.791
where: short stacking energy: -102.672
Base-Backbone interact. energy: 0.094
local terms energy: -117.172879
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -31.966
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: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -331.253750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.253750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.253750 (E_RNA)
where:
Base-Base interactions energy: -228.515
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.422
local terms energy: -102.316164
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -331.606386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.606386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.606386 (E_RNA)
where:
Base-Base interactions energy: -234.883
where: short stacking energy: -78.338
Base-Backbone interact. energy: -0.794
local terms energy: -95.929626
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -18.041
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: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -295.603588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.603588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.603588 (E_RNA)
where:
Base-Base interactions energy: -189.673
where: short stacking energy: -90.717
Base-Backbone interact. energy: -0.924
local terms energy: -105.006530
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -301.674981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.674981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.674981 (E_RNA)
where:
Base-Base interactions energy: -204.576
where: short stacking energy: -93.861
Base-Backbone interact. energy: -0.884
local terms energy: -96.214517
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -265.170460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.170460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.170460 (E_RNA)
where:
Base-Base interactions energy: -167.638
where: short stacking energy: -83.735
Base-Backbone interact. energy: -0.245
local terms energy: -97.287260
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -253.252691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.252691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.252691 (E_RNA)
where:
Base-Base interactions energy: -163.175
where: short stacking energy: -81.320
Base-Backbone interact. energy: -0.226
local terms energy: -89.851858
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -222.012084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012084 (E_RNA)
where:
Base-Base interactions energy: -137.122
where: short stacking energy: -72.469
Base-Backbone interact. energy: 0.351
local terms energy: -85.240964
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -16.901
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: 498
Temperature: 1.300000
Total energy: -199.076043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.076043 (E_RNA)
where:
Base-Base interactions energy: -118.429
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.476
local terms energy: -80.171251
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.357
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: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -222.371871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.371871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.371871 (E_RNA)
where:
Base-Base interactions energy: -143.721
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.603
local terms energy: -78.047186
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -10.455
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: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -350.880646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.880646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.880646 (E_RNA)
where:
Base-Base interactions energy: -237.393
where: short stacking energy: -103.348
Base-Backbone interact. energy: -0.455
local terms energy: -113.032601
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -27.929
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: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -360.848376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.848376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.848376 (E_RNA)
where:
Base-Base interactions energy: -259.626
where: short stacking energy: -91.674
Base-Backbone interact. energy: -0.366
local terms energy: -100.856478
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -335.189263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.189263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.189263 (E_RNA)
where:
Base-Base interactions energy: -226.072
where: short stacking energy: -104.190
Base-Backbone interact. energy: -0.421
local terms energy: -108.696025
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -292.131215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.131215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.131215 (E_RNA)
where:
Base-Base interactions energy: -186.081
where: short stacking energy: -88.501
Base-Backbone interact. energy: -0.137
local terms energy: -105.913274
where:
bonds (distance) C4'-P energy: -23.064
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -271.311289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.311289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.311289 (E_RNA)
where:
Base-Base interactions energy: -181.811
where: short stacking energy: -95.651
Base-Backbone interact. energy: -0.489
local terms energy: -89.011633
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -22.614
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: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -274.793068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.793068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.793068 (E_RNA)
where:
Base-Base interactions energy: -173.477
where: short stacking energy: -89.156
Base-Backbone interact. energy: -0.058
local terms energy: -101.258655
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -17.689
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: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -261.668440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.668440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.668440 (E_RNA)
where:
Base-Base interactions energy: -176.993
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.471
local terms energy: -84.204225
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -200.767839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.767839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.767839 (E_RNA)
where:
Base-Base interactions energy: -114.689
where: short stacking energy: -54.251
Base-Backbone interact. energy: -0.305
local terms energy: -85.774694
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -203.746354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.746354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.746354 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.276
local terms energy: -75.428069
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -2.965
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: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -219.768263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.768263 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.707
local terms energy: -84.702434
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -367.220648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.220648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.220648 (E_RNA)
where:
Base-Base interactions energy: -252.889
where: short stacking energy: -102.590
Base-Backbone interact. energy: -0.346
local terms energy: -113.985478
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -351.809747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.809747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.809747 (E_RNA)
where:
Base-Base interactions energy: -236.961
where: short stacking energy: -90.281
Base-Backbone interact. energy: -0.826
local terms energy: -114.022489
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -17.887
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: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -325.581856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.581856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.581856 (E_RNA)
where:
Base-Base interactions energy: -219.557
where: short stacking energy: -95.489
Base-Backbone interact. energy: -0.023
local terms energy: -106.001718
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -12.177
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: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -304.456410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.456410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.456410 (E_RNA)
where:
Base-Base interactions energy: -196.044
where: short stacking energy: -91.802
Base-Backbone interact. energy: -2.106
local terms energy: -106.306933
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -24.773
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: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -261.615526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.615526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.615526 (E_RNA)
where:
Base-Base interactions energy: -163.606
where: short stacking energy: -68.266
Base-Backbone interact. energy: -0.094
local terms energy: -97.916154
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -265.862677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.862677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.862677 (E_RNA)
where:
Base-Base interactions energy: -165.716
where: short stacking energy: -77.601
Base-Backbone interact. energy: -0.227
local terms energy: -99.919612
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -18.806
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: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -202.292600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.292600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.292600 (E_RNA)
where:
Base-Base interactions energy: -105.828
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.215
local terms energy: -96.249389
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -254.161552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.161552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.161552 (E_RNA)
where:
Base-Base interactions energy: -173.190
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.251
local terms energy: -80.720659
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -13.948
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: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -233.129266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.129266 (E_RNA)
where:
Base-Base interactions energy: -151.452
where: short stacking energy: -62.205
Base-Backbone interact. energy: 0.907
local terms energy: -82.584081
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -187.195210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.195210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.195210 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.347
local terms energy: -79.958511
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -372.447677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.447677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.447677 (E_RNA)
where:
Base-Base interactions energy: -254.331
where: short stacking energy: -92.859
Base-Backbone interact. energy: -0.454
local terms energy: -117.662491
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -24.900
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: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -342.042795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.042795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.042795 (E_RNA)
where:
Base-Base interactions energy: -229.637
where: short stacking energy: -104.156
Base-Backbone interact. energy: -0.139
local terms energy: -112.266671
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -14.956
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: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -324.826728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.826728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.826728 (E_RNA)
where:
Base-Base interactions energy: -228.200
where: short stacking energy: -93.528
Base-Backbone interact. energy: -0.283
local terms energy: -96.343068
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -311.842382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.842382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.842382 (E_RNA)
where:
Base-Base interactions energy: -207.139
where: short stacking energy: -90.948
Base-Backbone interact. energy: 0.898
local terms energy: -105.601460
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -262.200230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.200230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.200230 (E_RNA)
where:
Base-Base interactions energy: -174.077
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.211
local terms energy: -87.912210
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -13.402
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: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -269.563256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.563256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.563256 (E_RNA)
where:
Base-Base interactions energy: -172.778
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.177
local terms energy: -96.607924
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -18.300
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: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -232.302992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.302992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.302992 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.176
local terms energy: -95.760134
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -17.335
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: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -261.045727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.045727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.045727 (E_RNA)
where:
Base-Base interactions energy: -171.597
where: short stacking energy: -77.173
Base-Backbone interact. energy: -0.760
local terms energy: -88.688805
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -13.812
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: 501
Temperature: 1.300000
Total energy: -219.930637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.930637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.930637 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.095
local terms energy: -83.494173
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -14.184
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: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -129.087826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.087826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.087826 (E_RNA)
where:
Base-Base interactions energy: -55.222
where: short stacking energy: -30.588
Base-Backbone interact. energy: 1.059
local terms energy: -74.924525
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 22137004
moves confirmed later: 25351777
all moves confirmed: 47488781
percent of confirmed moves: 5.936098
current total energy: -328.688262
recalc. total energy: -328.688262
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 27320394
moves confirmed later: 32182497
all moves confirmed: 59502891
percent of confirmed moves: 7.437861
current total energy: -305.946572
recalc. total energy: -305.946572
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 26937517
moves confirmed later: 31680202
all moves confirmed: 58617719
percent of confirmed moves: 7.327215
current total energy: -281.942770
recalc. total energy: -281.942770
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 24552938
moves confirmed later: 28542270
all moves confirmed: 53095208
percent of confirmed moves: 6.636901
current total energy: -279.208271
recalc. total energy: -279.208271
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 26685661
moves confirmed later: 31364958
all moves confirmed: 58050619
percent of confirmed moves: 7.256327
current total energy: -236.438700
recalc. total energy: -236.438700
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 23985248
moves confirmed later: 27750702
all moves confirmed: 51735950
percent of confirmed moves: 6.466994
current total energy: -218.271724
recalc. total energy: -218.271724
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 25062764
moves confirmed later: 29196977
all moves confirmed: 54259741
percent of confirmed moves: 6.782468
current total energy: -177.259366
recalc. total energy: -177.259366
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 33105421
moves confirmed later: 39856713
all moves confirmed: 72962134
percent of confirmed moves: 9.120267
current total energy: -145.195355
recalc. total energy: -145.195355
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24009014
moves confirmed later: 27805245
all moves confirmed: 51814259
percent of confirmed moves: 6.476782
current total energy: -133.840860
recalc. total energy: -133.840860
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 27080816
moves confirmed later: 31881499
all moves confirmed: 58962315
percent of confirmed moves: 7.370289
current total energy: -43.985289
recalc. total energy: -43.985289
out arg RESULTS//1/3Q50-efac0504_01
Time of doing 8000000 iterations: 3629.824 seconds