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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/6-VP1-O-26c9e42a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6-VP1-O-26c9e42a/inputs/seq.fa: 1
curr_seq: _UCACUAACCGUAAUGGUCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCACUAACCGUAAUGGUCGUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.182470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182470 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -127.396723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.396723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.396723 (E_RNA)
where:
Base-Base interactions energy: -59.158
where: short stacking energy: -54.215
Base-Backbone interact. energy: -0.001
local terms energy: -68.237962
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -12.438
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -135.933864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.933864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.933864 (E_RNA)
where:
Base-Base interactions energy: -78.057
where: short stacking energy: -48.745
Base-Backbone interact. energy: -0.242
local terms energy: -57.634943
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -127.650212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.650212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.650212 (E_RNA)
where:
Base-Base interactions energy: -66.698
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.069
local terms energy: -60.883447
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.379407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.379407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.379407 (E_RNA)
where:
Base-Base interactions energy: -53.647
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.002
local terms energy: -67.730623
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -11.695
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -104.436398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.436398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.436398 (E_RNA)
where:
Base-Base interactions energy: -57.289
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.092
local terms energy: -47.055355
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -138.728578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.728578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.728578 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -42.227
Base-Backbone interact. energy: -0.589
local terms energy: -58.075668
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -98.152203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.152203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.152203 (E_RNA)
where:
Base-Base interactions energy: -54.813
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.443
local terms energy: -42.896091
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -91.282174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.282174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.282174 (E_RNA)
where:
Base-Base interactions energy: -37.349
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.094
local terms energy: -53.838970
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -103.414872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.414872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.414872 (E_RNA)
where:
Base-Base interactions energy: -53.404
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.105
local terms energy: -49.905939
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.613
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -101.709553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.709553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.709553 (E_RNA)
where:
Base-Base interactions energy: -56.739
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.503
local terms energy: -44.467764
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -4.012
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -129.353900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.353900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.353900 (E_RNA)
where:
Base-Base interactions energy: -59.404
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.043
local terms energy: -69.907134
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -11.052
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -132.234660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.234660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.234660 (E_RNA)
where:
Base-Base interactions energy: -70.300
where: short stacking energy: -40.199
Base-Backbone interact. energy: -1.212
local terms energy: -60.722691
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -153.033596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.033596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.033596 (E_RNA)
where:
Base-Base interactions energy: -81.991
where: short stacking energy: -44.586
Base-Backbone interact. energy: -1.364
local terms energy: -69.678653
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -115.687002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.687002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.687002 (E_RNA)
where:
Base-Base interactions energy: -47.897
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.109
local terms energy: -67.681283
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -12.492
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -108.340103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.340103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.340103 (E_RNA)
where:
Base-Base interactions energy: -54.970
where: short stacking energy: -40.113
Base-Backbone interact. energy: -0.126
local terms energy: -53.243994
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -139.000664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.000664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.000664 (E_RNA)
where:
Base-Base interactions energy: -76.661
where: short stacking energy: -51.002
Base-Backbone interact. energy: 1.551
local terms energy: -63.890532
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -92.567800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.567800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.567800 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -22.268
Base-Backbone interact. energy: 0.189
local terms energy: -46.971993
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -80.574219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574219 (E_RNA)
where:
Base-Base interactions energy: -25.609
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.200
local terms energy: -54.765730
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -80.246982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.246982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.246982 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.224
local terms energy: -43.264425
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -103.871692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.871692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.871692 (E_RNA)
where:
Base-Base interactions energy: -53.058
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.084
local terms energy: -50.729473
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -9.498
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -149.443445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.443445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.443445 (E_RNA)
where:
Base-Base interactions energy: -88.635
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.439
local terms energy: -60.369697
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -127.327011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.327011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.327011 (E_RNA)
where:
Base-Base interactions energy: -56.635
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.015
local terms energy: -70.677729
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -14.467
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: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -193.743321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.743321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.743321 (E_RNA)
where:
Base-Base interactions energy: -126.889
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.064
local terms energy: -66.790205
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -9.060
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: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -120.362364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.362364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.362364 (E_RNA)
where:
Base-Base interactions energy: -57.875
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.045
local terms energy: -62.441956
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -7.179
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -110.092223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.092223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.092223 (E_RNA)
where:
Base-Base interactions energy: -58.789
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.105
local terms energy: -51.197874
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -112.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.064964 (E_RNA)
where:
Base-Base interactions energy: -48.006
where: short stacking energy: -26.754
Base-Backbone interact. energy: -0.186
local terms energy: -63.873058
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -95.108349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.108349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.108349 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -35.828
Base-Backbone interact. energy: -0.072
local terms energy: -58.137439
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -8.372
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: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -95.686555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686555 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.064
local terms energy: -54.700316
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -148.859801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.859801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.859801 (E_RNA)
where:
Base-Base interactions energy: -85.441
where: short stacking energy: -41.856
Base-Backbone interact. energy: 0.405
local terms energy: -63.823152
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -83.940656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940656 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.174
local terms energy: -43.384461
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -184.056763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.056763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.056763 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -51.247
Base-Backbone interact. energy: -1.054
local terms energy: -64.336206
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -16.314
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -200.337625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337625 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -55.297
Base-Backbone interact. energy: 0.109
local terms energy: -63.530345
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -110.090808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.090808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.090808 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -46.979
Base-Backbone interact. energy: -0.109
local terms energy: -60.181191
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -9.188
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: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -124.859979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.859979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.859979 (E_RNA)
where:
Base-Base interactions energy: -60.482
where: short stacking energy: -35.902
Base-Backbone interact. energy: -0.126
local terms energy: -64.252528
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -120.783562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.783562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.783562 (E_RNA)
where:
Base-Base interactions energy: -58.462
where: short stacking energy: -42.509
Base-Backbone interact. energy: -0.055
local terms energy: -62.266444
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -9.302
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -93.716665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716665 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.152
local terms energy: -57.889151
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -5.218
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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -90.834909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.834909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.834909 (E_RNA)
where:
Base-Base interactions energy: -40.317
where: short stacking energy: -32.630
Base-Backbone interact. energy: -0.163
local terms energy: -50.354658
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -139.952854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.952854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.952854 (E_RNA)
where:
Base-Base interactions energy: -78.864
where: short stacking energy: -39.406
Base-Backbone interact. energy: 0.331
local terms energy: -61.419017
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -4.677
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: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -85.997857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997857 (E_RNA)
where:
Base-Base interactions energy: -43.551
where: short stacking energy: -30.937
Base-Backbone interact. energy: -0.137
local terms energy: -42.309966
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -6.008
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -93.722517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722517 (E_RNA)
where:
Base-Base interactions energy: -42.736
where: short stacking energy: -26.390
Base-Backbone interact. energy: -0.625
local terms energy: -50.361708
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -5.033
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -214.312535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.312535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.312535 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.143
local terms energy: -73.681044
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -186.316516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.316516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.316516 (E_RNA)
where:
Base-Base interactions energy: -118.936
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.250
local terms energy: -67.130230
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.606
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: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -140.709905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.709905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.709905 (E_RNA)
where:
Base-Base interactions energy: -80.939
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.438
local terms energy: -59.333368
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -133.301447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.301447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.301447 (E_RNA)
where:
Base-Base interactions energy: -76.861
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.110
local terms energy: -56.329958
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -9.059
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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -95.139675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139675 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -34.904
Base-Backbone interact. energy: 2.795
local terms energy: -56.881271
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -93.805325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.805325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.805325 (E_RNA)
where:
Base-Base interactions energy: -49.767
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.024
local terms energy: -44.014722
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: 1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -155.544851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.544851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.544851 (E_RNA)
where:
Base-Base interactions energy: -95.220
where: short stacking energy: -52.688
Base-Backbone interact. energy: 0.420
local terms energy: -60.744661
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -11.186
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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -76.466099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.466099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.466099 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -29.317
Base-Backbone interact. energy: -1.088
local terms energy: -40.811624
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: 4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -90.531029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531029 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -23.645
Base-Backbone interact. energy: 0.053
local terms energy: -50.314662
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -74.016369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.016369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.016369 (E_RNA)
where:
Base-Base interactions energy: -28.440
where: short stacking energy: -16.908
Base-Backbone interact. energy: -0.402
local terms energy: -45.174454
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -5.589
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.146
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -212.587726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587726 (E_RNA)
where:
Base-Base interactions energy: -136.745
where: short stacking energy: -63.840
Base-Backbone interact. energy: -2.063
local terms energy: -73.780474
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -167.228457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.228457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.228457 (E_RNA)
where:
Base-Base interactions energy: -104.272
where: short stacking energy: -51.364
Base-Backbone interact. energy: 1.456
local terms energy: -64.412563
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -12.254
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -183.858934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858934 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.060
local terms energy: -72.139107
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -165.220361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.220361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.220361 (E_RNA)
where:
Base-Base interactions energy: -94.862
where: short stacking energy: -42.734
Base-Backbone interact. energy: -2.015
local terms energy: -68.343787
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -128.698370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.698370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.698370 (E_RNA)
where:
Base-Base interactions energy: -66.871
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.517
local terms energy: -61.310321
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.048
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -145.934907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.934907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.934907 (E_RNA)
where:
Base-Base interactions energy: -90.447
where: short stacking energy: -40.839
Base-Backbone interact. energy: -0.167
local terms energy: -55.320719
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -82.117325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.117325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.117325 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -23.814
Base-Backbone interact. energy: 0.172
local terms energy: -51.279835
where:
bonds (distance) C4'-P energy: -7.749
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -87.224771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224771 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.678
local terms energy: -45.608674
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -72.217641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.217641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.217641 (E_RNA)
where:
Base-Base interactions energy: -21.966
where: short stacking energy: -17.621
Base-Backbone interact. energy: -0.266
local terms energy: -49.986094
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -82.960899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.960899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.960899 (E_RNA)
where:
Base-Base interactions energy: -32.943
where: short stacking energy: -21.770
Base-Backbone interact. energy: -0.033
local terms energy: -49.985186
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -230.931292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.931292 (E_RNA)
where:
Base-Base interactions energy: -159.649
where: short stacking energy: -70.847
Base-Backbone interact. energy: -0.000
local terms energy: -71.281699
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -19.816
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -173.407329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.407329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.407329 (E_RNA)
where:
Base-Base interactions energy: -109.982
where: short stacking energy: -54.834
Base-Backbone interact. energy: 0.526
local terms energy: -63.951381
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -14.952
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -181.117388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117388 (E_RNA)
where:
Base-Base interactions energy: -117.125
where: short stacking energy: -56.548
Base-Backbone interact. energy: -2.728
local terms energy: -61.264262
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -157.388149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.388149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.388149 (E_RNA)
where:
Base-Base interactions energy: -94.590
where: short stacking energy: -38.446
Base-Backbone interact. energy: -0.978
local terms energy: -61.820116
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -144.597628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.597628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.597628 (E_RNA)
where:
Base-Base interactions energy: -85.022
where: short stacking energy: -43.642
Base-Backbone interact. energy: -0.168
local terms energy: -59.408276
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -93.564491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.564491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.564491 (E_RNA)
where:
Base-Base interactions energy: -43.010
where: short stacking energy: -35.057
Base-Backbone interact. energy: -0.188
local terms energy: -50.366891
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -93.206781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.206781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.206781 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -34.897
Base-Backbone interact. energy: 1.050
local terms energy: -59.359845
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -95.180235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180235 (E_RNA)
where:
Base-Base interactions energy: -56.323
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.142
local terms energy: -38.714733
where:
bonds (distance) C4'-P energy: -5.205
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -3.687
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -83.153530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.153530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.153530 (E_RNA)
where:
Base-Base interactions energy: -32.822
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.223
local terms energy: -50.109067
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -76.492728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.492728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.492728 (E_RNA)
where:
Base-Base interactions energy: -28.318
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.059
local terms energy: -48.115579
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -5.364
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -217.998709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998709 (E_RNA)
where:
Base-Base interactions energy: -146.842
where: short stacking energy: -64.742
Base-Backbone interact. energy: 0.635
local terms energy: -71.791087
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -185.717759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.717759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.717759 (E_RNA)
where:
Base-Base interactions energy: -120.764
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.288
local terms energy: -64.665336
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -180.052374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.052374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.052374 (E_RNA)
where:
Base-Base interactions energy: -114.377
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.009
local terms energy: -65.666268
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -157.317425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.317425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.317425 (E_RNA)
where:
Base-Base interactions energy: -94.884
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.012
local terms energy: -62.420508
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -154.632357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.632357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.632357 (E_RNA)
where:
Base-Base interactions energy: -99.481
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.162
local terms energy: -54.988980
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -116.263466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.263466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.263466 (E_RNA)
where:
Base-Base interactions energy: -56.180
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.247
local terms energy: -59.836379
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -92.169227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.169227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.169227 (E_RNA)
where:
Base-Base interactions energy: -38.575
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.584
local terms energy: -53.010154
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -120.983651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.983651 (E_RNA)
where:
Base-Base interactions energy: -72.651
where: short stacking energy: -28.041
Base-Backbone interact. energy: -0.118
local terms energy: -48.214697
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -3.039
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: 9
Temperature: 1.300000
Total energy: -92.747911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.747911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.747911 (E_RNA)
where:
Base-Base interactions energy: -39.307
where: short stacking energy: -31.269
Base-Backbone interact. energy: 0.363
local terms energy: -53.804535
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -83.852637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.852637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.852637 (E_RNA)
where:
Base-Base interactions energy: -31.739
where: short stacking energy: -22.967
Base-Backbone interact. energy: -0.136
local terms energy: -51.978093
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: 2.545
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: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -200.950019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.950019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.950019 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.018
local terms energy: -70.154561
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.428
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -221.530564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.530564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.530564 (E_RNA)
where:
Base-Base interactions energy: -147.422
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.009
local terms energy: -74.099504
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -198.121400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.121400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.121400 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -53.791
Base-Backbone interact. energy: 0.209
local terms energy: -73.479392
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.378
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: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -162.335349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.335349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.335349 (E_RNA)
where:
Base-Base interactions energy: -95.958
where: short stacking energy: -55.991
Base-Backbone interact. energy: -1.943
local terms energy: -64.434947
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -127.650493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.650493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.650493 (E_RNA)
where:
Base-Base interactions energy: -73.490
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.179
local terms energy: -53.981633
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -131.642914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.642914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.642914 (E_RNA)
where:
Base-Base interactions energy: -67.251
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.111
local terms energy: -64.281289
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -125.661415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.661415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.661415 (E_RNA)
where:
Base-Base interactions energy: -79.449
where: short stacking energy: -35.583
Base-Backbone interact. energy: -0.497
local terms energy: -45.715538
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -90.935665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935665 (E_RNA)
where:
Base-Base interactions energy: -45.280
where: short stacking energy: -24.775
Base-Backbone interact. energy: -0.153
local terms energy: -45.503304
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -80.874026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.874026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.874026 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -33.324
Base-Backbone interact. energy: -0.961
local terms energy: -43.209572
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -82.247311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.247311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.247311 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.077
local terms energy: -50.916305
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -206.471811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.471811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.471811 (E_RNA)
where:
Base-Base interactions energy: -133.843
where: short stacking energy: -62.619
Base-Backbone interact. energy: -0.342
local terms energy: -72.287062
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -203.264987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.264987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.264987 (E_RNA)
where:
Base-Base interactions energy: -130.097
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.003
local terms energy: -73.165034
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -209.421845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.421845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.421845 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.628
local terms energy: -66.463364
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -183.927344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.927344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.927344 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.166
local terms energy: -66.611572
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -144.152237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.152237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.152237 (E_RNA)
where:
Base-Base interactions energy: -85.117
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.160
local terms energy: -58.875142
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -9.910
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -120.821283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.821283 (E_RNA)
where:
Base-Base interactions energy: -68.497
where: short stacking energy: -34.031
Base-Backbone interact. energy: -0.009
local terms energy: -52.314823
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -5.544
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: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -155.784475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.784475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.784475 (E_RNA)
where:
Base-Base interactions energy: -94.334
where: short stacking energy: -50.219
Base-Backbone interact. energy: 1.385
local terms energy: -62.835440
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.117
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: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -86.900811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.900811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.900811 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -26.405
Base-Backbone interact. energy: -0.175
local terms energy: -56.890653
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -3.981
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.366529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.366529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.366529 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -29.556
Base-Backbone interact. energy: -1.092
local terms energy: -57.236712
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.495
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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -73.958127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.958127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.958127 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -27.986
Base-Backbone interact. energy: -0.086
local terms energy: -45.886522
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -1.318
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: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -210.315673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.315673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.315673 (E_RNA)
where:
Base-Base interactions energy: -144.256
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.377
local terms energy: -65.682711
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -191.688673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.688673 (E_RNA)
where:
Base-Base interactions energy: -118.547
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.186
local terms energy: -72.956245
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -16.257
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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -210.282051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.282051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.282051 (E_RNA)
where:
Base-Base interactions energy: -141.051
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.016
local terms energy: -69.214759
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -201.286702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.286702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.286702 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -61.607
Base-Backbone interact. energy: 0.055
local terms energy: -63.174468
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.640
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: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -124.004819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.004819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.004819 (E_RNA)
where:
Base-Base interactions energy: -64.752
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.041
local terms energy: -59.212469
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.445
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -100.313343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313343 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.957
local terms energy: -61.145006
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -6.560
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: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -192.148676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.148676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.148676 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.005
local terms energy: -66.014426
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -20.104
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: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -90.870854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870854 (E_RNA)
where:
Base-Base interactions energy: -38.489
where: short stacking energy: -34.702
Base-Backbone interact. energy: -0.014
local terms energy: -52.367979
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -6.318
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: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -82.799865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.799865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.799865 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.150
local terms energy: -52.273896
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -3.103
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: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -78.422050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422050 (E_RNA)
where:
Base-Base interactions energy: -31.897
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.012
local terms energy: -46.512917
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -3.618
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: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -225.852785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.852785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.852785 (E_RNA)
where:
Base-Base interactions energy: -151.142
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.209
local terms energy: -74.501343
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -14.383
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: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -224.948850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.948850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948850 (E_RNA)
where:
Base-Base interactions energy: -152.967
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.011
local terms energy: -71.970723
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -190.161549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.161549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.161549 (E_RNA)
where:
Base-Base interactions energy: -120.422
where: short stacking energy: -65.094
Base-Backbone interact. energy: -0.185
local terms energy: -69.554389
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.397
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: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -209.087697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.087697 (E_RNA)
where:
Base-Base interactions energy: -139.968
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.050
local terms energy: -69.070097
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.048
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: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -181.724059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.724059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.724059 (E_RNA)
where:
Base-Base interactions energy: -116.959
where: short stacking energy: -48.149
Base-Backbone interact. energy: -0.163
local terms energy: -64.601174
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -11.783
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -207.302742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.302742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.302742 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.050
local terms energy: -73.912626
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -98.072955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.072955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.072955 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.169
local terms energy: -53.223887
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -6.765
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -85.916880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.916880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.916880 (E_RNA)
where:
Base-Base interactions energy: -35.296
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.032
local terms energy: -50.589598
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.033603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.033603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.033603 (E_RNA)
where:
Base-Base interactions energy: -48.557
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.163
local terms energy: -49.313587
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -82.917242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.917242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.917242 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -26.796
Base-Backbone interact. energy: -0.041
local terms energy: -55.681323
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -228.881486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.881486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.881486 (E_RNA)
where:
Base-Base interactions energy: -164.238
where: short stacking energy: -57.429
Base-Backbone interact. energy: 1.498
local terms energy: -66.140879
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -221.171768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.171768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.171768 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.118
local terms energy: -68.070622
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.821
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -228.928861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.928861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.928861 (E_RNA)
where:
Base-Base interactions energy: -148.065
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.001
local terms energy: -80.862781
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -178.500489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.500489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.500489 (E_RNA)
where:
Base-Base interactions energy: -105.886
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.010
local terms energy: -72.604219
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.675
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -211.507552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.507552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.507552 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.166
local terms energy: -68.574973
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -207.420419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.420419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.420419 (E_RNA)
where:
Base-Base interactions energy: -132.486
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.003
local terms energy: -74.931234
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -98.726326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.726326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.726326 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.193
local terms energy: -54.701531
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -93.109749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.109749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.109749 (E_RNA)
where:
Base-Base interactions energy: -49.042
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.076
local terms energy: -43.991826
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -80.306460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306460 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.177
local terms energy: -44.282406
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -81.766693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.766693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.766693 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -25.043
Base-Backbone interact. energy: 1.659
local terms energy: -49.692680
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -230.393502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.393502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.393502 (E_RNA)
where:
Base-Base interactions energy: -159.512
where: short stacking energy: -59.837
Base-Backbone interact. energy: 0.245
local terms energy: -71.125889
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -236.080416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.080416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.080416 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.001
local terms energy: -79.754402
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -209.452236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.452236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.452236 (E_RNA)
where:
Base-Base interactions energy: -140.097
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.261
local terms energy: -69.094592
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -224.875707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.875707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.875707 (E_RNA)
where:
Base-Base interactions energy: -154.118
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.034
local terms energy: -70.724000
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -173.540856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.540856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.540856 (E_RNA)
where:
Base-Base interactions energy: -103.695
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.031
local terms energy: -69.815329
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -181.353874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.353874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.353874 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.160
local terms energy: -62.413274
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -11.298
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: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -83.618360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.618360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.618360 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -35.101
Base-Backbone interact. energy: 0.757
local terms energy: -47.182997
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -139.339442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.339442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.339442 (E_RNA)
where:
Base-Base interactions energy: -83.142
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.331
local terms energy: -55.866609
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -91.900379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900379 (E_RNA)
where:
Base-Base interactions energy: -43.853
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.167
local terms energy: -47.880724
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -76.480787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.480787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.480787 (E_RNA)
where:
Base-Base interactions energy: -27.531
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.934
local terms energy: -48.015194
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: 4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -236.562372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.562372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.562372 (E_RNA)
where:
Base-Base interactions energy: -163.230
where: short stacking energy: -70.504
Base-Backbone interact. energy: -0.058
local terms energy: -73.275081
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -205.718962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718962 (E_RNA)
where:
Base-Base interactions energy: -135.134
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.247
local terms energy: -70.337522
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -207.982012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.982012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.982012 (E_RNA)
where:
Base-Base interactions energy: -132.630
where: short stacking energy: -56.582
Base-Backbone interact. energy: -1.425
local terms energy: -73.927355
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -16.588
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: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -206.879178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.879178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879178 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.249
local terms energy: -61.097900
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -151.819124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.819124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.819124 (E_RNA)
where:
Base-Base interactions energy: -89.086
where: short stacking energy: -40.879
Base-Backbone interact. energy: 0.143
local terms energy: -62.876343
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -7.844
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: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -154.937299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.937299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.937299 (E_RNA)
where:
Base-Base interactions energy: -96.840
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.303
local terms energy: -57.794122
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -156.270293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.270293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.270293 (E_RNA)
where:
Base-Base interactions energy: -103.630
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.079
local terms energy: -52.561141
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -95.833103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.833103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.833103 (E_RNA)
where:
Base-Base interactions energy: -39.479
where: short stacking energy: -37.535
Base-Backbone interact. energy: -1.033
local terms energy: -55.321214
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -86.542310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.542310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.542310 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -22.342
Base-Backbone interact. energy: 0.892
local terms energy: -41.047553
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -5.184
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -79.932107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.932107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.932107 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -25.875
Base-Backbone interact. energy: -0.099
local terms energy: -50.841530
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -228.427939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.427939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.427939 (E_RNA)
where:
Base-Base interactions energy: -153.253
where: short stacking energy: -74.336
Base-Backbone interact. energy: -0.063
local terms energy: -75.111952
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -19.006
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: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -224.676489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.676489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.676489 (E_RNA)
where:
Base-Base interactions energy: -147.117
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.692
local terms energy: -76.867163
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -211.959448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959448 (E_RNA)
where:
Base-Base interactions energy: -140.233
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.128
local terms energy: -71.598505
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -10.481
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -205.786204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.786204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.786204 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.437
local terms energy: -72.344634
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -171.776937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.776937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.776937 (E_RNA)
where:
Base-Base interactions energy: -102.540
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.075
local terms energy: -69.161986
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.486
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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -151.735036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.735036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.735036 (E_RNA)
where:
Base-Base interactions energy: -97.419
where: short stacking energy: -45.144
Base-Backbone interact. energy: 0.695
local terms energy: -55.010695
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -148.277282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.277282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.277282 (E_RNA)
where:
Base-Base interactions energy: -93.557
where: short stacking energy: -43.592
Base-Backbone interact. energy: -0.401
local terms energy: -54.319972
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -87.275077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.275077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.275077 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -31.917
Base-Backbone interact. energy: 2.189
local terms energy: -57.547472
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -4.704
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: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -79.581402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.581402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.581402 (E_RNA)
where:
Base-Base interactions energy: -25.710
where: short stacking energy: -19.969
Base-Backbone interact. energy: -0.131
local terms energy: -53.739791
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.644
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: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -75.097559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.097559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.097559 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -30.709
Base-Backbone interact. energy: -0.159
local terms energy: -44.229845
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -231.950272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.950272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.950272 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -66.560
Base-Backbone interact. energy: 0.336
local terms energy: -80.843426
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -20.857
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: 18
Temperature: 0.950000
Total energy: -215.226472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.226472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.226472 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -67.848
Base-Backbone interact. energy: -0.301
local terms energy: -79.108229
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -20.132
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: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -210.884430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.884430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.884430 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -63.033
Base-Backbone interact. energy: -0.122
local terms energy: -72.860176
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -203.830845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830845 (E_RNA)
where:
Base-Base interactions energy: -126.948
where: short stacking energy: -51.013
Base-Backbone interact. energy: 0.023
local terms energy: -76.905840
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -12.627
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: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -188.489076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.489076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.489076 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -57.860
Base-Backbone interact. energy: -0.561
local terms energy: -72.774606
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -16.590
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: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -155.440150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.440150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.440150 (E_RNA)
where:
Base-Base interactions energy: -97.296
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.035
local terms energy: -58.109829
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -167.716453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.716453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.716453 (E_RNA)
where:
Base-Base interactions energy: -101.213
where: short stacking energy: -53.001
Base-Backbone interact. energy: 1.371
local terms energy: -67.874712
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -92.966681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.966681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.966681 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -30.189
Base-Backbone interact. energy: -0.100
local terms energy: -56.034413
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -6.413
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: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -84.016993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.016993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.016993 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -34.333
Base-Backbone interact. energy: -0.225
local terms energy: -49.392710
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -77.987918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.987918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.987918 (E_RNA)
where:
Base-Base interactions energy: -28.674
where: short stacking energy: -24.752
Base-Backbone interact. energy: -0.222
local terms energy: -49.092681
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -228.824557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.824557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.824557 (E_RNA)
where:
Base-Base interactions energy: -154.480
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.092
local terms energy: -74.252570
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -215.670729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.670729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.670729 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.127
local terms energy: -71.513517
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -14.397
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -209.041144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.041144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.041144 (E_RNA)
where:
Base-Base interactions energy: -142.153
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.073
local terms energy: -66.814512
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -16.529
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: 19
Temperature: 1.050000
Total energy: -192.374455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.374455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.374455 (E_RNA)
where:
Base-Base interactions energy: -119.064
where: short stacking energy: -56.800
Base-Backbone interact. energy: -0.163
local terms energy: -73.147787
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -16.458
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: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -200.907533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.907533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.907533 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.053
local terms energy: -66.666979
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -14.525
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: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -160.544695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.544695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.544695 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -48.336
Base-Backbone interact. energy: -0.116
local terms energy: -62.377500
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -193.248328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248328 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -51.640
Base-Backbone interact. energy: 0.159
local terms energy: -64.857470
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -95.860914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.860914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.860914 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.042
local terms energy: -57.855173
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -77.336399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.336399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.336399 (E_RNA)
where:
Base-Base interactions energy: -32.828
where: short stacking energy: -28.875
Base-Backbone interact. energy: 1.115
local terms energy: -45.623508
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: 1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -84.492002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.492002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.492002 (E_RNA)
where:
Base-Base interactions energy: -34.683
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.303
local terms energy: -49.506342
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -6.863
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: 20
Temperature: 0.900000
Total energy: -216.606660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.606660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.606660 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.495
local terms energy: -71.003707
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -15.513
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: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -236.104110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.104110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.104110 (E_RNA)
where:
Base-Base interactions energy: -154.539
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.001
local terms energy: -81.564322
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -227.514456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.514456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.514456 (E_RNA)
where:
Base-Base interactions energy: -153.021
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.015
local terms energy: -74.477775
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -192.131485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.131485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.131485 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -55.249
Base-Backbone interact. energy: 2.906
local terms energy: -66.790771
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -205.744182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.744182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.744182 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.742
local terms energy: -70.515908
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -15.337
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: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -172.676141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.676141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.676141 (E_RNA)
where:
Base-Base interactions energy: -112.660
where: short stacking energy: -46.589
Base-Backbone interact. energy: -0.235
local terms energy: -59.781118
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -174.762425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.762425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.762425 (E_RNA)
where:
Base-Base interactions energy: -112.630
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.113
local terms energy: -62.020179
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -80.204485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204485 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.019
local terms energy: -53.151265
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -81.132254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.132254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.132254 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.358
local terms energy: -44.782169
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: 0.867
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: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -78.406036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406036 (E_RNA)
where:
Base-Base interactions energy: -28.382
where: short stacking energy: -24.389
Base-Backbone interact. energy: -0.018
local terms energy: -50.006266
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -210.841314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841314 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -54.196
Base-Backbone interact. energy: -1.121
local terms energy: -67.658625
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -12.660
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -233.070732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.070732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.070732 (E_RNA)
where:
Base-Base interactions energy: -154.914
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.004
local terms energy: -78.152762
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -223.756632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.756632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.756632 (E_RNA)
where:
Base-Base interactions energy: -145.735
where: short stacking energy: -70.892
Base-Backbone interact. energy: -1.849
local terms energy: -76.172796
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -22.911
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: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -209.678668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.678668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.678668 (E_RNA)
where:
Base-Base interactions energy: -135.514
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.144
local terms energy: -74.020293
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -195.602491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.602491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.602491 (E_RNA)
where:
Base-Base interactions energy: -123.103
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.068
local terms energy: -72.431843
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -177.134642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.134642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.134642 (E_RNA)
where:
Base-Base interactions energy: -112.203
where: short stacking energy: -45.758
Base-Backbone interact. energy: -1.150
local terms energy: -63.781468
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -13.488
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: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -166.791611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.791611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.791611 (E_RNA)
where:
Base-Base interactions energy: -110.808
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.460
local terms energy: -55.524056
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -4.477
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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -86.809235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.809235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.809235 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.021
local terms energy: -54.469972
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -80.285156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.285156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.285156 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -16.385
Base-Backbone interact. energy: -0.530
local terms energy: -47.300095
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -8.297
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: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -129.329308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329308 (E_RNA)
where:
Base-Base interactions energy: -76.565
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.230
local terms energy: -52.534426
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -232.897824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897824 (E_RNA)
where:
Base-Base interactions energy: -158.793
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.003
local terms energy: -74.101905
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -202.298148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.298148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.298148 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.569
local terms energy: -68.367653
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -13.182
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: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -213.500012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.500012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.500012 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.011
local terms energy: -78.382068
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.149
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: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -214.355702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.355702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.355702 (E_RNA)
where:
Base-Base interactions energy: -145.172
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.608
local terms energy: -68.576165
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.484
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: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -178.551231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.551231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.551231 (E_RNA)
where:
Base-Base interactions energy: -111.390
where: short stacking energy: -55.751
Base-Backbone interact. energy: -0.028
local terms energy: -67.133662
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -150.248830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.248830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.248830 (E_RNA)
where:
Base-Base interactions energy: -89.393
where: short stacking energy: -42.701
Base-Backbone interact. energy: -0.636
local terms energy: -60.220001
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -144.145865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.145865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.145865 (E_RNA)
where:
Base-Base interactions energy: -94.904
where: short stacking energy: -32.394
Base-Backbone interact. energy: -0.419
local terms energy: -48.822453
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.212
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -79.404776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404776 (E_RNA)
where:
Base-Base interactions energy: -32.191
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.035
local terms energy: -47.179273
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -6.765
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: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -140.400261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.400261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.400261 (E_RNA)
where:
Base-Base interactions energy: -85.266
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.920
local terms energy: -54.213793
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -80.414470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.414470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.414470 (E_RNA)
where:
Base-Base interactions energy: -28.780
where: short stacking energy: -19.581
Base-Backbone interact. energy: 0.514
local terms energy: -52.148457
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -232.379416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.379416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.379416 (E_RNA)
where:
Base-Base interactions energy: -151.205
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.446
local terms energy: -80.728070
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -6.632
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: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -217.718262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.718262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718262 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.208
local terms energy: -64.816532
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -208.598612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.598612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.598612 (E_RNA)
where:
Base-Base interactions energy: -138.366
where: short stacking energy: -62.951
Base-Backbone interact. energy: -0.044
local terms energy: -70.188562
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -16.700
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: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -204.713215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.713215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.713215 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.002
local terms energy: -70.135667
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -156.272852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.272852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.272852 (E_RNA)
where:
Base-Base interactions energy: -100.855
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.007
local terms energy: -55.411136
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -146.394414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.394414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.394414 (E_RNA)
where:
Base-Base interactions energy: -91.782
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.169
local terms energy: -54.443116
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -146.237082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.237082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.237082 (E_RNA)
where:
Base-Base interactions energy: -88.846
where: short stacking energy: -45.145
Base-Backbone interact. energy: -0.208
local terms energy: -57.183162
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -10.569
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: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -138.166915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.166915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.166915 (E_RNA)
where:
Base-Base interactions energy: -83.528
where: short stacking energy: -36.358
Base-Backbone interact. energy: 0.670
local terms energy: -55.308171
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -75.326397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.326397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.326397 (E_RNA)
where:
Base-Base interactions energy: -26.173
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.066
local terms energy: -49.087486
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -81.145468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145468 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.005
local terms energy: -48.297570
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -220.423472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.423472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.423472 (E_RNA)
where:
Base-Base interactions energy: -144.081
where: short stacking energy: -69.203
Base-Backbone interact. energy: -0.001
local terms energy: -76.341311
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -22.089
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -226.826765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.826765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.826765 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -64.447
Base-Backbone interact. energy: -1.601
local terms energy: -76.716178
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -20.140
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: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -212.440982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440982 (E_RNA)
where:
Base-Base interactions energy: -138.832
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.974
local terms energy: -72.634633
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.299
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -194.923709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.923709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.923709 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.022
local terms energy: -70.898393
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -165.917506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.917506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.917506 (E_RNA)
where:
Base-Base interactions energy: -104.475
where: short stacking energy: -50.038
Base-Backbone interact. energy: -0.119
local terms energy: -61.323594
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -9.037
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -151.726524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.726524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.726524 (E_RNA)
where:
Base-Base interactions energy: -91.197
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.039
local terms energy: -60.490190
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -149.717502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.717502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.717502 (E_RNA)
where:
Base-Base interactions energy: -90.418
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.258
local terms energy: -59.041976
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -12.366
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -92.896238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.896238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.896238 (E_RNA)
where:
Base-Base interactions energy: -59.950
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.313
local terms energy: -32.633231
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -114.047525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.047525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.047525 (E_RNA)
where:
Base-Base interactions energy: -66.360
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.120
local terms energy: -47.567253
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -6.594
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: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -73.376069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.376069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.376069 (E_RNA)
where:
Base-Base interactions energy: -25.963
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.115
local terms energy: -47.297893
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -237.797910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.797910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.797910 (E_RNA)
where:
Base-Base interactions energy: -159.259
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.353
local terms energy: -78.185390
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -11.346
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: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -219.803114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.803114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.803114 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.012
local terms energy: -72.608861
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -219.783209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.783209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.783209 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.044
local terms energy: -70.923467
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -11.537
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: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -197.888909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.888909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.888909 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.002
local terms energy: -71.262476
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -183.312169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.312169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.312169 (E_RNA)
where:
Base-Base interactions energy: -123.240
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.249
local terms energy: -59.823472
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -161.461822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.461822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.461822 (E_RNA)
where:
Base-Base interactions energy: -103.111
where: short stacking energy: -41.570
Base-Backbone interact. energy: -0.115
local terms energy: -58.236155
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.247
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: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -149.965958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.965958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.965958 (E_RNA)
where:
Base-Base interactions energy: -94.431
where: short stacking energy: -42.330
Base-Backbone interact. energy: -0.454
local terms energy: -55.081205
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -7.275
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: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -93.941018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941018 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.192
local terms energy: -51.880566
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -92.630324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.630324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.630324 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.064
local terms energy: -45.806092
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: 1.238
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: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -74.177722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.177722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.177722 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -17.602
Base-Backbone interact. energy: -0.023
local terms energy: -47.039001
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -221.457733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.457733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.457733 (E_RNA)
where:
Base-Base interactions energy: -148.086
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.009
local terms energy: -73.362532
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.610
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: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -228.456399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.456399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.456399 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.047
local terms energy: -68.586577
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -202.373894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.373894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.373894 (E_RNA)
where:
Base-Base interactions energy: -129.141
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.115
local terms energy: -73.118055
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -208.893450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.893450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.893450 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.411
local terms energy: -72.267049
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -17.743
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: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -160.889578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.889578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.889578 (E_RNA)
where:
Base-Base interactions energy: -97.013
where: short stacking energy: -44.083
Base-Backbone interact. energy: -0.464
local terms energy: -63.413138
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -7.980
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: 26
Temperature: 1.150000
Total energy: -167.803800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.803800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.803800 (E_RNA)
where:
Base-Base interactions energy: -104.079
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.221
local terms energy: -63.504124
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -10.875
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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -149.933354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.933354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.933354 (E_RNA)
where:
Base-Base interactions energy: -96.940
where: short stacking energy: -43.790
Base-Backbone interact. energy: -0.206
local terms energy: -52.786531
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -90.616807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616807 (E_RNA)
where:
Base-Base interactions energy: -42.736
where: short stacking energy: -36.567
Base-Backbone interact. energy: 2.267
local terms energy: -50.147870
where:
bonds (distance) C4'-P energy: -5.590
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -84.079555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.079555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.079555 (E_RNA)
where:
Base-Base interactions energy: -35.441
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.634
local terms energy: -48.004899
where:
bonds (distance) C4'-P energy: -6.759
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.111514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.111514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.111514 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -15.423
Base-Backbone interact. energy: 0.804
local terms energy: -44.002094
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: 0.768
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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -235.065162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.065162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.065162 (E_RNA)
where:
Base-Base interactions energy: -157.659
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.001
local terms energy: -77.405080
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -237.045683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.045683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.045683 (E_RNA)
where:
Base-Base interactions energy: -155.692
where: short stacking energy: -70.480
Base-Backbone interact. energy: -1.447
local terms energy: -79.907305
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -196.756880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.756880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.756880 (E_RNA)
where:
Base-Base interactions energy: -131.009
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.009
local terms energy: -65.738818
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -221.069463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.069463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.069463 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -65.076
Base-Backbone interact. energy: -0.097
local terms energy: -74.475904
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -175.139358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.139358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.139358 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.214
local terms energy: -58.913310
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -155.991068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.991068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.991068 (E_RNA)
where:
Base-Base interactions energy: -95.564
where: short stacking energy: -48.095
Base-Backbone interact. energy: 0.469
local terms energy: -60.895478
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -156.081986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.081986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.081986 (E_RNA)
where:
Base-Base interactions energy: -99.572
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.326
local terms energy: -56.184076
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -79.365042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.365042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.365042 (E_RNA)
where:
Base-Base interactions energy: -29.772
where: short stacking energy: -29.684
Base-Backbone interact. energy: 0.048
local terms energy: -49.641725
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -90.155676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155676 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -34.926
Base-Backbone interact. energy: -0.703
local terms energy: -50.116102
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.153854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.153854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.153854 (E_RNA)
where:
Base-Base interactions energy: -31.522
where: short stacking energy: -30.445
Base-Backbone interact. energy: 1.049
local terms energy: -50.681024
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -238.819134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.819134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.819134 (E_RNA)
where:
Base-Base interactions energy: -163.129
where: short stacking energy: -71.604
Base-Backbone interact. energy: -0.516
local terms energy: -75.174797
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.706
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: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -235.265196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.265196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.265196 (E_RNA)
where:
Base-Base interactions energy: -159.245
where: short stacking energy: -71.246
Base-Backbone interact. energy: -1.128
local terms energy: -74.892460
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.336
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: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -209.808757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.808757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.808757 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.000
local terms energy: -71.416342
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -191.960167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960167 (E_RNA)
where:
Base-Base interactions energy: -122.078
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.007
local terms energy: -69.875306
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -169.186748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.186748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.186748 (E_RNA)
where:
Base-Base interactions energy: -104.408
where: short stacking energy: -58.283
Base-Backbone interact. energy: -0.021
local terms energy: -64.758378
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -14.507
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: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -174.829238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.829238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.829238 (E_RNA)
where:
Base-Base interactions energy: -115.312
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.388
local terms energy: -59.128693
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.251
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: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -157.813894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.813894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.813894 (E_RNA)
where:
Base-Base interactions energy: -97.376
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.405
local terms energy: -60.033413
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -90.982163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.982163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.982163 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.070
local terms energy: -48.542974
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.171
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: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.108752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.108752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.108752 (E_RNA)
where:
Base-Base interactions energy: -33.297
where: short stacking energy: -25.274
Base-Backbone interact. energy: -1.068
local terms energy: -45.744350
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -91.341814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.341814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.341814 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -37.521
Base-Backbone interact. energy: -0.013
local terms energy: -52.631848
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -235.613110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.613110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.613110 (E_RNA)
where:
Base-Base interactions energy: -158.272
where: short stacking energy: -73.037
Base-Backbone interact. energy: 0.630
local terms energy: -77.971777
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -230.953421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.953421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.953421 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.169
local terms energy: -79.322115
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -20.983
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: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -227.572948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.572948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.572948 (E_RNA)
where:
Base-Base interactions energy: -147.343
where: short stacking energy: -70.501
Base-Backbone interact. energy: 1.852
local terms energy: -82.081918
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -11.456
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -168.712419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.712419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.712419 (E_RNA)
where:
Base-Base interactions energy: -105.160
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.283
local terms energy: -63.269635
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -172.050185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.050185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.050185 (E_RNA)
where:
Base-Base interactions energy: -106.207
where: short stacking energy: -52.316
Base-Backbone interact. energy: -0.065
local terms energy: -65.777645
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -198.985973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.985973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.985973 (E_RNA)
where:
Base-Base interactions energy: -131.983
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.100
local terms energy: -66.903228
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -143.996333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.996333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.996333 (E_RNA)
where:
Base-Base interactions energy: -86.307
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.735
local terms energy: -56.954389
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -85.686755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686755 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -28.731
Base-Backbone interact. energy: 2.896
local terms energy: -49.102984
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -82.894679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.894679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.894679 (E_RNA)
where:
Base-Base interactions energy: -37.310
where: short stacking energy: -37.310
Base-Backbone interact. energy: -0.194
local terms energy: -45.390231
where:
bonds (distance) C4'-P energy: -5.445
bonds (distance) P-C4' energy: -7.940
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -80.393199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.393199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.393199 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.152
local terms energy: -50.109853
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -236.587654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.587654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.587654 (E_RNA)
where:
Base-Base interactions energy: -154.851
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.008
local terms energy: -81.728290
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -238.465652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.465652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.465652 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.575
local terms energy: -81.650042
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -23.300
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: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -227.895414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.895414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.895414 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.003
local terms energy: -80.660260
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -13.445
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -167.579039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.579039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.579039 (E_RNA)
where:
Base-Base interactions energy: -97.259
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.277
local terms energy: -70.042753
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -198.162752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162752 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.017
local terms energy: -69.090567
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -18.058
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: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -153.260564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.260564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.260564 (E_RNA)
where:
Base-Base interactions energy: -94.237
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.208
local terms energy: -58.815019
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -8.769
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: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -93.725155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.725155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.725155 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.262
local terms energy: -53.213230
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -143.096252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.096252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.096252 (E_RNA)
where:
Base-Base interactions energy: -88.938
where: short stacking energy: -45.847
Base-Backbone interact. energy: -0.245
local terms energy: -53.912598
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -76.108909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.108909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.108909 (E_RNA)
where:
Base-Base interactions energy: -29.426
where: short stacking energy: -29.426
Base-Backbone interact. energy: -0.138
local terms energy: -46.544876
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -90.392324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392324 (E_RNA)
where:
Base-Base interactions energy: -40.812
where: short stacking energy: -22.168
Base-Backbone interact. energy: -0.211
local terms energy: -49.369176
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -239.303867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.303867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.303867 (E_RNA)
where:
Base-Base interactions energy: -156.991
where: short stacking energy: -69.726
Base-Backbone interact. energy: 0.367
local terms energy: -82.679592
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.344
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: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -218.199146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199146 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.008
local terms energy: -72.691972
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -220.427322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.427322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.427322 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.020
local terms energy: -77.628975
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.482
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: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -208.862744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862744 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.006
local terms energy: -75.595548
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -165.982827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.982827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.982827 (E_RNA)
where:
Base-Base interactions energy: -104.354
where: short stacking energy: -52.418
Base-Backbone interact. energy: -0.161
local terms energy: -61.468051
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -16.254
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: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -154.350125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.350125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.350125 (E_RNA)
where:
Base-Base interactions energy: -94.189
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.925
local terms energy: -59.236050
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -88.110510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110510 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -32.034
Base-Backbone interact. energy: -0.167
local terms energy: -55.909513
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -2.592
tors. eta vs tors. theta energy: -8.975
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -146.705053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.705053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.705053 (E_RNA)
where:
Base-Base interactions energy: -84.159
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.001
local terms energy: -62.545164
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -91.054688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.054688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.054688 (E_RNA)
where:
Base-Base interactions energy: -35.517
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.146
local terms energy: -55.391516
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.492986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.492986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.492986 (E_RNA)
where:
Base-Base interactions energy: -29.825
where: short stacking energy: -28.278
Base-Backbone interact. energy: 0.182
local terms energy: -52.849779
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -226.659221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.659221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.659221 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.268
local terms energy: -75.526438
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -21.726
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: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -234.329046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.329046 (E_RNA)
where:
Base-Base interactions energy: -161.043
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.800
local terms energy: -72.486350
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -229.005705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.005705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.005705 (E_RNA)
where:
Base-Base interactions energy: -153.447
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.001
local terms energy: -75.557525
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.264
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: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -211.910798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.910798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.910798 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.001
local terms energy: -69.323300
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -10.158
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: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -157.455503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.455503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.455503 (E_RNA)
where:
Base-Base interactions energy: -99.050
where: short stacking energy: -41.338
Base-Backbone interact. energy: 0.921
local terms energy: -59.326476
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -155.317921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.317921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.317921 (E_RNA)
where:
Base-Base interactions energy: -89.599
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.887
local terms energy: -64.832395
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -171.427589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.427589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.427589 (E_RNA)
where:
Base-Base interactions energy: -106.307
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.132
local terms energy: -64.988238
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -9.788
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -89.850261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.850261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.850261 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -40.427
Base-Backbone interact. energy: -0.361
local terms energy: -49.692516
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -78.678692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.678692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.678692 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.225
local terms energy: -49.060187
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -73.115270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.115270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.115270 (E_RNA)
where:
Base-Base interactions energy: -22.806
where: short stacking energy: -15.216
Base-Backbone interact. energy: -1.085
local terms energy: -49.223631
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: 0.508
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: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -230.766995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.766995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.766995 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.228
local terms energy: -76.432440
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -225.372612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.372612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.372612 (E_RNA)
where:
Base-Base interactions energy: -157.805
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.210
local terms energy: -67.357489
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -17.016
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: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -231.742494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.742494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.742494 (E_RNA)
where:
Base-Base interactions energy: -163.141
where: short stacking energy: -69.195
Base-Backbone interact. energy: -1.287
local terms energy: -67.314294
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -214.029637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.029637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.029637 (E_RNA)
where:
Base-Base interactions energy: -140.295
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.042
local terms energy: -73.692553
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -19.484
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: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -153.594090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.594090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.594090 (E_RNA)
where:
Base-Base interactions energy: -94.080
where: short stacking energy: -47.340
Base-Backbone interact. energy: 0.440
local terms energy: -59.954740
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -178.696821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.696821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.696821 (E_RNA)
where:
Base-Base interactions energy: -116.238
where: short stacking energy: -47.119
Base-Backbone interact. energy: 2.417
local terms energy: -64.876094
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -13.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -128.902039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.902039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.902039 (E_RNA)
where:
Base-Base interactions energy: -73.656
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.037
local terms energy: -55.209394
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -80.201198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201198 (E_RNA)
where:
Base-Base interactions energy: -24.698
where: short stacking energy: -21.338
Base-Backbone interact. energy: -0.144
local terms energy: -55.359162
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -86.623642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.623642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.623642 (E_RNA)
where:
Base-Base interactions energy: -31.942
where: short stacking energy: -26.728
Base-Backbone interact. energy: -0.014
local terms energy: -54.667286
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -70.723605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.723605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.723605 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -13.875
Base-Backbone interact. energy: 0.205
local terms energy: -38.804689
where:
bonds (distance) C4'-P energy: -6.161
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -240.464397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.464397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.464397 (E_RNA)
where:
Base-Base interactions energy: -155.466
where: short stacking energy: -67.988
Base-Backbone interact. energy: -4.109
local terms energy: -80.889863
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -15.470
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -219.754048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754048 (E_RNA)
where:
Base-Base interactions energy: -138.240
where: short stacking energy: -64.435
Base-Backbone interact. energy: -1.297
local terms energy: -80.217247
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -12.321
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: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -212.332846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.332846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.332846 (E_RNA)
where:
Base-Base interactions energy: -143.234
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.137
local terms energy: -68.961820
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -199.684590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.684590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.684590 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.071
local terms energy: -67.837598
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -16.412
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: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -170.493211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.493211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493211 (E_RNA)
where:
Base-Base interactions energy: -106.096
where: short stacking energy: -46.421
Base-Backbone interact. energy: -0.249
local terms energy: -64.147729
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -169.292015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.292015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.292015 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.884
local terms energy: -59.684066
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -151.655010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655010 (E_RNA)
where:
Base-Base interactions energy: -99.724
where: short stacking energy: -40.623
Base-Backbone interact. energy: 2.334
local terms energy: -54.265267
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -87.561277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561277 (E_RNA)
where:
Base-Base interactions energy: -45.514
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.289
local terms energy: -41.758972
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -5.811
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: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -73.142169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.142169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.142169 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.604
Base-Backbone interact. energy: -0.078
local terms energy: -43.202665
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -1.512
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: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -79.775198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775198 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.177
local terms energy: -44.164049
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -239.373171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.373171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.373171 (E_RNA)
where:
Base-Base interactions energy: -157.568
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.001
local terms energy: -81.804086
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -22.406
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: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -222.623998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.623998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.623998 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.193
local terms energy: -71.913010
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -222.011776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011776 (E_RNA)
where:
Base-Base interactions energy: -145.064
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.102
local terms energy: -76.846132
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -18.891
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -216.957036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.957036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.957036 (E_RNA)
where:
Base-Base interactions energy: -143.834
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.209
local terms energy: -72.913647
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -170.464013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.464013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.464013 (E_RNA)
where:
Base-Base interactions energy: -102.853
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.011
local terms energy: -67.599802
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -6.730
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -15.989
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: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -149.385091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.385091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.385091 (E_RNA)
where:
Base-Base interactions energy: -90.595
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.113
local terms energy: -58.677480
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -5.716
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: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -153.690054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.690054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.690054 (E_RNA)
where:
Base-Base interactions energy: -92.009
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.311
local terms energy: -61.369521
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -9.474
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: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -82.482323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482323 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.192
local terms energy: -53.014919
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -73.942156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.942156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.942156 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -18.220
Base-Backbone interact. energy: -0.144
local terms energy: -49.484932
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -69.406678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.406678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.406678 (E_RNA)
where:
Base-Base interactions energy: -22.543
where: short stacking energy: -22.400
Base-Backbone interact. energy: -0.271
local terms energy: -46.592168
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -233.773334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.773334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.773334 (E_RNA)
where:
Base-Base interactions energy: -158.594
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.240
local terms energy: -74.939457
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -19.877
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: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -220.518310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.518310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.518310 (E_RNA)
where:
Base-Base interactions energy: -145.415
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.633
local terms energy: -74.470129
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -20.753
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -223.626756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.626756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.626756 (E_RNA)
where:
Base-Base interactions energy: -154.782
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.098
local terms energy: -68.746300
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -210.161464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.161464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.161464 (E_RNA)
where:
Base-Base interactions energy: -147.932
where: short stacking energy: -59.485
Base-Backbone interact. energy: -0.056
local terms energy: -62.174094
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -165.033289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.033289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033289 (E_RNA)
where:
Base-Base interactions energy: -101.014
where: short stacking energy: -55.611
Base-Backbone interact. energy: -0.712
local terms energy: -63.307240
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -156.620958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.620958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.620958 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.099
local terms energy: -58.024934
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -145.997907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.997907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.997907 (E_RNA)
where:
Base-Base interactions energy: -88.423
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.758
local terms energy: -56.816743
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -83.821956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.821956 (E_RNA)
where:
Base-Base interactions energy: -40.684
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.346
local terms energy: -42.791420
where:
bonds (distance) C4'-P energy: -7.316
bonds (distance) P-C4' energy: -8.270
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -93.988176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.988176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.988176 (E_RNA)
where:
Base-Base interactions energy: -46.058
where: short stacking energy: -20.460
Base-Backbone interact. energy: -1.170
local terms energy: -46.760272
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -83.304439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.304439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.304439 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.155
local terms energy: -46.154422
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -242.503565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.503565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.503565 (E_RNA)
where:
Base-Base interactions energy: -161.335
where: short stacking energy: -73.257
Base-Backbone interact. energy: -2.280
local terms energy: -78.887970
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.856
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -226.478809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.478809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.478809 (E_RNA)
where:
Base-Base interactions energy: -155.246
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.192
local terms energy: -71.040354
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -220.006694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006694 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.077
local terms energy: -80.517411
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -204.147173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.147173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.147173 (E_RNA)
where:
Base-Base interactions energy: -131.226
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.040
local terms energy: -72.881318
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -157.048197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.048197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.048197 (E_RNA)
where:
Base-Base interactions energy: -91.926
where: short stacking energy: -46.779
Base-Backbone interact. energy: -0.950
local terms energy: -64.172161
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -150.026339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.026339 (E_RNA)
where:
Base-Base interactions energy: -89.637
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.193
local terms energy: -60.197197
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -7.817
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: 37
Temperature: 1.200000
Total energy: -159.164618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.164618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.164618 (E_RNA)
where:
Base-Base interactions energy: -102.937
where: short stacking energy: -50.466
Base-Backbone interact. energy: -0.101
local terms energy: -56.126547
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -96.211711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.211711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.211711 (E_RNA)
where:
Base-Base interactions energy: -56.245
where: short stacking energy: -23.023
Base-Backbone interact. energy: -0.421
local terms energy: -39.545585
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: 6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -77.922224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.922224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.922224 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -19.883
Base-Backbone interact. energy: -0.763
local terms energy: -46.726686
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -69.018219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.018219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.018219 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -12.138
Base-Backbone interact. energy: -1.514
local terms energy: -45.046746
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -238.064906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.064906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064906 (E_RNA)
where:
Base-Base interactions energy: -159.763
where: short stacking energy: -73.159
Base-Backbone interact. energy: 0.080
local terms energy: -78.382184
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -21.404
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: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -222.473148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.473148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.473148 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -69.244
Base-Backbone interact. energy: 0.207
local terms energy: -72.285298
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -226.749293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.749293 (E_RNA)
where:
Base-Base interactions energy: -153.963
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.797
local terms energy: -71.989441
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -219.705542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.705542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.705542 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.001
local terms energy: -71.314798
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -21.199
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: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -154.512971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.512971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.512971 (E_RNA)
where:
Base-Base interactions energy: -93.771
where: short stacking energy: -44.671
Base-Backbone interact. energy: -0.003
local terms energy: -60.739740
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -10.315
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -154.436721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.436721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.436721 (E_RNA)
where:
Base-Base interactions energy: -91.612
where: short stacking energy: -44.766
Base-Backbone interact. energy: 3.259
local terms energy: -66.083019
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -159.152181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.152181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.152181 (E_RNA)
where:
Base-Base interactions energy: -94.097
where: short stacking energy: -44.330
Base-Backbone interact. energy: -0.160
local terms energy: -64.894851
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -12.397
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: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -89.998947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.998947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.998947 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.025
local terms energy: -55.772177
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -82.195281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.195281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.195281 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.571
local terms energy: -47.973714
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -5.763
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -71.808644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.808644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.808644 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.106
local terms energy: -39.970623
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -2.254
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -229.754213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.754213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.754213 (E_RNA)
where:
Base-Base interactions energy: -155.336
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.377
local terms energy: -74.041464
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -17.246
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: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -219.222211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.222211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.222211 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.014
local terms energy: -76.841555
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -19.015
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: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -224.693263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.693263 (E_RNA)
where:
Base-Base interactions energy: -147.009
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.423
local terms energy: -77.261952
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -10.322
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: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -169.733303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.733303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.733303 (E_RNA)
where:
Base-Base interactions energy: -100.837
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.153
local terms energy: -68.743248
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -10.510
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: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -210.807521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.807521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.807521 (E_RNA)
where:
Base-Base interactions energy: -139.369
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.225
local terms energy: -71.213345
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -11.609
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: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -159.278509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.278509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.278509 (E_RNA)
where:
Base-Base interactions energy: -102.786
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.170
local terms energy: -56.323248
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -8.131
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: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -156.643827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643827 (E_RNA)
where:
Base-Base interactions energy: -93.162
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.126
local terms energy: -63.355531
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -7.468
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: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -97.123430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.123430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.123430 (E_RNA)
where:
Base-Base interactions energy: -43.552
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.057
local terms energy: -53.514329
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -1.621
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: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -79.345784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.345784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.345784 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -24.951
Base-Backbone interact. energy: -0.820
local terms energy: -48.812873
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -76.916597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.916597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.916597 (E_RNA)
where:
Base-Base interactions energy: -28.315
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.001
local terms energy: -48.600205
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -224.063981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.063981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.063981 (E_RNA)
where:
Base-Base interactions energy: -149.827
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.020
local terms energy: -74.216914
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -226.053401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.053401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.053401 (E_RNA)
where:
Base-Base interactions energy: -154.969
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.297
local terms energy: -70.787390
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -18.663
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: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -220.180597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.180597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.180597 (E_RNA)
where:
Base-Base interactions energy: -148.631
where: short stacking energy: -59.668
Base-Backbone interact. energy: -0.015
local terms energy: -71.535261
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -21.274
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: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -177.593648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.593648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.593648 (E_RNA)
where:
Base-Base interactions energy: -113.627
where: short stacking energy: -54.367
Base-Backbone interact. energy: -0.019
local terms energy: -63.948000
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -12.871
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: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -209.834067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834067 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.010
local terms energy: -67.282065
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -159.396076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.396076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.396076 (E_RNA)
where:
Base-Base interactions energy: -109.597
where: short stacking energy: -44.873
Base-Backbone interact. energy: 0.436
local terms energy: -50.234923
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -173.751342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.751342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.751342 (E_RNA)
where:
Base-Base interactions energy: -117.825
where: short stacking energy: -45.898
Base-Backbone interact. energy: 0.496
local terms energy: -56.423083
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -12.679
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -78.268526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268526 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -30.679
Base-Backbone interact. energy: 0.553
local terms energy: -48.142304
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -5.369
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: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -93.035273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.035273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.035273 (E_RNA)
where:
Base-Base interactions energy: -43.422
where: short stacking energy: -20.252
Base-Backbone interact. energy: -0.180
local terms energy: -49.433096
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -90.711591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.711591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.711591 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -41.800
Base-Backbone interact. energy: -0.101
local terms energy: -48.810925
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -6.663
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -235.718009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.718009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.718009 (E_RNA)
where:
Base-Base interactions energy: -156.193
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.031
local terms energy: -79.494014
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -14.110
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: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -236.043363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.043363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.043363 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.017
local terms energy: -79.787102
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -220.743248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.743248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.743248 (E_RNA)
where:
Base-Base interactions energy: -149.544
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.150
local terms energy: -71.049281
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -230.615311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615311 (E_RNA)
where:
Base-Base interactions energy: -153.620
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.002
local terms energy: -76.993338
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -184.195788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.195788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.195788 (E_RNA)
where:
Base-Base interactions energy: -117.337
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.076
local terms energy: -66.783026
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -12.254
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: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -169.202960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.202960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.202960 (E_RNA)
where:
Base-Base interactions energy: -100.899
where: short stacking energy: -48.561
Base-Backbone interact. energy: -1.109
local terms energy: -67.194938
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.089
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: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -159.868704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.868704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.868704 (E_RNA)
where:
Base-Base interactions energy: -102.864
where: short stacking energy: -46.501
Base-Backbone interact. energy: -0.371
local terms energy: -56.633652
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -96.214850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.214850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.214850 (E_RNA)
where:
Base-Base interactions energy: -39.737
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.592
local terms energy: -55.886548
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -10.453
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: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -88.383924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.383924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.383924 (E_RNA)
where:
Base-Base interactions energy: -33.290
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.204
local terms energy: -54.890112
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -4.591
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: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -84.189858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189858 (E_RNA)
where:
Base-Base interactions energy: -34.269
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.664
local terms energy: -49.256755
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -229.820178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.820178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.820178 (E_RNA)
where:
Base-Base interactions energy: -152.821
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.069
local terms energy: -76.929878
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -227.421607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.421607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.421607 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.021
local terms energy: -79.796380
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -215.423428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.423428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.423428 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.492
local terms energy: -67.202491
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -213.133914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.133914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.133914 (E_RNA)
where:
Base-Base interactions energy: -139.689
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.003
local terms energy: -73.441319
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -187.081171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.081171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.081171 (E_RNA)
where:
Base-Base interactions energy: -113.862
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.095
local terms energy: -73.123813
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -162.764231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.764231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.764231 (E_RNA)
where:
Base-Base interactions energy: -102.256
where: short stacking energy: -43.948
Base-Backbone interact. energy: -1.092
local terms energy: -59.416828
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -14.407
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: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -90.591927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.591927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.591927 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.190
local terms energy: -53.620508
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -145.101918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.101918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.101918 (E_RNA)
where:
Base-Base interactions energy: -84.118
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.365
local terms energy: -60.618787
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.736
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: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -99.958692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.958692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.958692 (E_RNA)
where:
Base-Base interactions energy: -48.067
where: short stacking energy: -29.215
Base-Backbone interact. energy: 1.589
local terms energy: -53.481237
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -77.580011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.580011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.580011 (E_RNA)
where:
Base-Base interactions energy: -28.550
where: short stacking energy: -19.394
Base-Backbone interact. energy: 1.357
local terms energy: -50.386949
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -233.243624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.243624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243624 (E_RNA)
where:
Base-Base interactions energy: -164.569
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.081
local terms energy: -68.593518
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -219.175160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.175160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.175160 (E_RNA)
where:
Base-Base interactions energy: -142.949
where: short stacking energy: -66.394
Base-Backbone interact. energy: 0.728
local terms energy: -76.954068
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -212.487225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.487225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.487225 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.018
local terms energy: -72.689646
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -19.684
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: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -211.728744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.728744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728744 (E_RNA)
where:
Base-Base interactions energy: -142.809
where: short stacking energy: -65.429
Base-Backbone interact. energy: -0.265
local terms energy: -68.654153
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -15.683
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -170.293927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.293927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.293927 (E_RNA)
where:
Base-Base interactions energy: -111.080
where: short stacking energy: -47.061
Base-Backbone interact. energy: -0.246
local terms energy: -58.968464
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -154.001947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.001947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.001947 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.397
local terms energy: -60.813187
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -100.940547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940547 (E_RNA)
where:
Base-Base interactions energy: -44.739
where: short stacking energy: -44.739
Base-Backbone interact. energy: -0.164
local terms energy: -56.037366
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -85.268514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.268514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.268514 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -35.714
Base-Backbone interact. energy: 1.663
local terms energy: -49.831012
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -142.536569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.536569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.536569 (E_RNA)
where:
Base-Base interactions energy: -86.605
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.241
local terms energy: -55.690021
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -5.104
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -86.175643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175643 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.009
local terms energy: -56.146223
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -229.724058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.724058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.724058 (E_RNA)
where:
Base-Base interactions energy: -157.750
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.147
local terms energy: -71.826976
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -228.383914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.383914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.383914 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.044
local terms energy: -74.933459
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.403
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -224.693488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.693488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.693488 (E_RNA)
where:
Base-Base interactions energy: -150.317
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.050
local terms energy: -74.327125
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -18.692
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -215.177643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.177643 (E_RNA)
where:
Base-Base interactions energy: -140.487
where: short stacking energy: -67.510
Base-Backbone interact. energy: 0.054
local terms energy: -74.744040
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -170.497982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.497982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.497982 (E_RNA)
where:
Base-Base interactions energy: -102.455
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.003
local terms energy: -68.040251
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -198.539062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.539062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.539062 (E_RNA)
where:
Base-Base interactions energy: -133.739
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.468
local terms energy: -64.332430
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -96.747445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.747445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.747445 (E_RNA)
where:
Base-Base interactions energy: -39.691
where: short stacking energy: -18.835
Base-Backbone interact. energy: -1.235
local terms energy: -55.821894
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -94.383310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383310 (E_RNA)
where:
Base-Base interactions energy: -42.850
where: short stacking energy: -33.500
Base-Backbone interact. energy: -0.203
local terms energy: -51.330645
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -139.397904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.397904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.397904 (E_RNA)
where:
Base-Base interactions energy: -85.505
where: short stacking energy: -39.870
Base-Backbone interact. energy: -0.050
local terms energy: -53.843028
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -5.877
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: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.335920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.335920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.335920 (E_RNA)
where:
Base-Base interactions energy: -32.023
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.226
local terms energy: -48.087018
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -231.623824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.623824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.623824 (E_RNA)
where:
Base-Base interactions energy: -163.065
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.265
local terms energy: -68.293610
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -226.603666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.603666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.603666 (E_RNA)
where:
Base-Base interactions energy: -150.959
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.219
local terms energy: -75.426553
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -7.747
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: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -212.254161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.254161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.254161 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.241
local terms energy: -71.831705
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -216.243752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.243752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.243752 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.317
local terms energy: -72.521751
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -156.800745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.800745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.800745 (E_RNA)
where:
Base-Base interactions energy: -93.638
where: short stacking energy: -51.601
Base-Backbone interact. energy: 1.019
local terms energy: -64.181941
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -11.969
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: 45
Temperature: 1.150000
Total energy: -197.326332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.326332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.326332 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.253
local terms energy: -62.233654
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -15.011
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: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -86.673027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673027 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -32.962
Base-Backbone interact. energy: 0.303
local terms energy: -49.620417
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -1.671
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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -147.380130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.380130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.380130 (E_RNA)
where:
Base-Base interactions energy: -89.608
where: short stacking energy: -29.537
Base-Backbone interact. energy: -1.412
local terms energy: -56.359539
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.556
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: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -82.180769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.180769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.180769 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -30.496
Base-Backbone interact. energy: 0.087
local terms energy: -47.958068
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -70.367270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.367270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.367270 (E_RNA)
where:
Base-Base interactions energy: -31.227
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.170
local terms energy: -38.969703
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -227.034267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.034267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.034267 (E_RNA)
where:
Base-Base interactions energy: -147.539
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.003
local terms energy: -79.491896
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -223.500674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.500674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.500674 (E_RNA)
where:
Base-Base interactions energy: -154.493
where: short stacking energy: -64.494
Base-Backbone interact. energy: 1.206
local terms energy: -70.213786
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -212.507580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.507580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.507580 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.011
local terms energy: -72.940933
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -15.437
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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -216.853391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.853391 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -65.263
Base-Backbone interact. energy: -1.360
local terms energy: -74.406312
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -205.940545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.940545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.940545 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -61.768
Base-Backbone interact. energy: 0.338
local terms energy: -74.328585
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -18.344
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: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -168.073619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.073619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.073619 (E_RNA)
where:
Base-Base interactions energy: -102.191
where: short stacking energy: -43.948
Base-Backbone interact. energy: 0.777
local terms energy: -66.659742
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.218
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: 46
Temperature: 1.200000
Total energy: -160.610018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.610018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.610018 (E_RNA)
where:
Base-Base interactions energy: -99.110
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.006
local terms energy: -61.494104
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -89.665629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.665629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.665629 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.166
local terms energy: -53.219891
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -2.282
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: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -84.127215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127215 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -30.458
Base-Backbone interact. energy: -0.158
local terms energy: -53.267900
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -81.414010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.414010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.414010 (E_RNA)
where:
Base-Base interactions energy: -37.196
where: short stacking energy: -22.458
Base-Backbone interact. energy: -0.372
local terms energy: -43.846578
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -236.526672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.526672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.526672 (E_RNA)
where:
Base-Base interactions energy: -164.617
where: short stacking energy: -73.451
Base-Backbone interact. energy: -0.201
local terms energy: -71.709372
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.150
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: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -213.938310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.938310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.938310 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -66.698
Base-Backbone interact. energy: 1.094
local terms energy: -69.310374
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -223.290733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290733 (E_RNA)
where:
Base-Base interactions energy: -148.138
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.001
local terms energy: -75.151879
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.699
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: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -223.406662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.406662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.406662 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.630
local terms energy: -71.314020
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -211.163792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.163792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.163792 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.723
local terms energy: -71.350546
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -148.646689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.646689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.646689 (E_RNA)
where:
Base-Base interactions energy: -94.142
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.190
local terms energy: -54.314901
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -168.743059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743059 (E_RNA)
where:
Base-Base interactions energy: -103.666
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.371
local terms energy: -64.706232
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -10.790
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: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -89.503920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503920 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.047
local terms energy: -54.033128
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -4.744
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -74.866836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.866836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.866836 (E_RNA)
where:
Base-Base interactions energy: -28.962
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.068
local terms energy: -45.837423
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.020
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: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -80.509211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509211 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.181
local terms energy: -51.118368
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -235.118834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.118834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.118834 (E_RNA)
where:
Base-Base interactions energy: -156.602
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.006
local terms energy: -78.510484
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -12.282
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: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -239.849169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.849169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.849169 (E_RNA)
where:
Base-Base interactions energy: -158.412
where: short stacking energy: -74.230
Base-Backbone interact. energy: -0.658
local terms energy: -80.779559
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -13.817
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -227.529473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.529473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.529473 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.307
local terms energy: -71.968951
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -6.780
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: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -220.800527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.800527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.800527 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.637
local terms energy: -69.737576
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -199.051198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.051198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.051198 (E_RNA)
where:
Base-Base interactions energy: -129.225
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.678
local terms energy: -69.147921
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -150.719743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.719743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.719743 (E_RNA)
where:
Base-Base interactions energy: -92.936
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.197
local terms energy: -57.587164
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -182.378920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.378920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.378920 (E_RNA)
where:
Base-Base interactions energy: -113.213
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.482
local terms energy: -68.683746
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -91.288319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.288319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.288319 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -37.977
Base-Backbone interact. energy: -0.005
local terms energy: -52.193328
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -84.521115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521115 (E_RNA)
where:
Base-Base interactions energy: -39.830
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.247
local terms energy: -44.443823
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -79.405150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.405150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.405150 (E_RNA)
where:
Base-Base interactions energy: -24.660
where: short stacking energy: -22.515
Base-Backbone interact. energy: 0.242
local terms energy: -54.986595
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -4.282
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: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -241.662747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.662747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.662747 (E_RNA)
where:
Base-Base interactions energy: -162.395
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.003
local terms energy: -79.264579
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -13.692
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -222.821585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.821585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821585 (E_RNA)
where:
Base-Base interactions energy: -148.687
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.003
local terms energy: -74.132312
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -235.562396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.562396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.562396 (E_RNA)
where:
Base-Base interactions energy: -156.775
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.001
local terms energy: -78.785874
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -215.003416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003416 (E_RNA)
where:
Base-Base interactions energy: -149.909
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.143
local terms energy: -64.951016
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -204.461064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.461064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.461064 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.085
local terms energy: -66.473007
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -153.585905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.585905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.585905 (E_RNA)
where:
Base-Base interactions energy: -91.897
where: short stacking energy: -42.966
Base-Backbone interact. energy: -0.029
local terms energy: -61.660184
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.199
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: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -160.027777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.027777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.027777 (E_RNA)
where:
Base-Base interactions energy: -103.345
where: short stacking energy: -39.908
Base-Backbone interact. energy: -0.506
local terms energy: -56.177342
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -11.561
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: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -102.975576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.975576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.975576 (E_RNA)
where:
Base-Base interactions energy: -45.653
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.143
local terms energy: -57.179603
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -77.312115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.312115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.312115 (E_RNA)
where:
Base-Base interactions energy: -27.051
where: short stacking energy: -18.554
Base-Backbone interact. energy: -0.687
local terms energy: -49.573687
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -95.606353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606353 (E_RNA)
where:
Base-Base interactions energy: -50.812
where: short stacking energy: -26.021
Base-Backbone interact. energy: 0.137
local terms energy: -44.931383
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -2.959
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: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -217.723857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.723857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.723857 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.079
local terms energy: -71.722365
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -220.012051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.012051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.012051 (E_RNA)
where:
Base-Base interactions energy: -141.654
where: short stacking energy: -69.441
Base-Backbone interact. energy: -1.884
local terms energy: -76.473854
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.667
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: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -226.618055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.618055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.618055 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -69.241
Base-Backbone interact. energy: 0.146
local terms energy: -74.965809
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -22.930
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: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -224.852902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.852902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.852902 (E_RNA)
where:
Base-Base interactions energy: -148.811
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.163
local terms energy: -75.879151
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -207.790524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.790524 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.014
local terms energy: -67.745161
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -193.901423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.901423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.901423 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.313
local terms energy: -63.178917
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -195.372152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.372152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.372152 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.301
local terms energy: -68.020869
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -15.643
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: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -110.352860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.352860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.352860 (E_RNA)
where:
Base-Base interactions energy: -54.891
where: short stacking energy: -36.930
Base-Backbone interact. energy: -0.151
local terms energy: -55.311250
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -92.163818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163818 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.638
local terms energy: -54.102485
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -75.586778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.586778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.586778 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.146
local terms energy: -48.081492
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -235.717553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.717553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.717553 (E_RNA)
where:
Base-Base interactions energy: -160.087
where: short stacking energy: -77.348
Base-Backbone interact. energy: -0.049
local terms energy: -75.582182
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -20.960
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: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -219.663126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.663126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.663126 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.599
local terms energy: -72.778836
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -212.511187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.511187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.511187 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.246
local terms energy: -73.787280
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -12.636
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: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -219.400176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400176 (E_RNA)
where:
Base-Base interactions energy: -148.227
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.001
local terms energy: -71.172145
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -202.287252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.287252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.287252 (E_RNA)
where:
Base-Base interactions energy: -135.291
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.178
local terms energy: -66.817396
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -199.607236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.607236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.607236 (E_RNA)
where:
Base-Base interactions energy: -128.420
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.062
local terms energy: -71.124493
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.130
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -188.688295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688295 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -50.259
Base-Backbone interact. energy: 0.382
local terms energy: -63.983581
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -12.815
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -86.829947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829947 (E_RNA)
where:
Base-Base interactions energy: -28.109
where: short stacking energy: -23.848
Base-Backbone interact. energy: -0.121
local terms energy: -58.600404
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -89.179963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.179963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.179963 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.063
local terms energy: -52.867365
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -69.871326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.871326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.871326 (E_RNA)
where:
Base-Base interactions energy: -21.872
where: short stacking energy: -21.540
Base-Backbone interact. energy: -0.264
local terms energy: -47.734731
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -232.983930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.983930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.983930 (E_RNA)
where:
Base-Base interactions energy: -161.576
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.159
local terms energy: -71.248647
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -232.837380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.837380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.837380 (E_RNA)
where:
Base-Base interactions energy: -156.948
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.397
local terms energy: -75.492031
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -11.113
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: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -216.541378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.541378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.541378 (E_RNA)
where:
Base-Base interactions energy: -148.098
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.016
local terms energy: -68.427262
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -211.620110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.620110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.620110 (E_RNA)
where:
Base-Base interactions energy: -142.516
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.005
local terms energy: -69.098885
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -20.166
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -200.111202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.111202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111202 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -56.266
Base-Backbone interact. energy: 0.027
local terms energy: -66.923392
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -16.688
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: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -197.557913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557913 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.324
local terms energy: -68.916407
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -16.071
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: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -207.338361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.338361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.338361 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.124
local terms energy: -61.151588
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -85.962049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962049 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.519
local terms energy: -51.375987
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -1.164
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -75.252958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.252958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.252958 (E_RNA)
where:
Base-Base interactions energy: -23.451
where: short stacking energy: -23.451
Base-Backbone interact. energy: -0.069
local terms energy: -51.733200
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -83.519267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.519267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.519267 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -31.838
Base-Backbone interact. energy: -0.122
local terms energy: -51.559137
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -7.783
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: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -233.766141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.766141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.766141 (E_RNA)
where:
Base-Base interactions energy: -157.825
where: short stacking energy: -71.245
Base-Backbone interact. energy: -0.003
local terms energy: -75.937900
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.052
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: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -234.839910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.839910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.839910 (E_RNA)
where:
Base-Base interactions energy: -156.539
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.064
local terms energy: -78.237375
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.822
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -211.461075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.461075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.461075 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.248
local terms energy: -75.755583
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.348
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: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -220.803529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803529 (E_RNA)
where:
Base-Base interactions energy: -147.210
where: short stacking energy: -70.290
Base-Backbone interact. energy: -0.000
local terms energy: -73.593520
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -216.342870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342870 (E_RNA)
where:
Base-Base interactions energy: -144.512
where: short stacking energy: -73.597
Base-Backbone interact. energy: 0.825
local terms energy: -72.656185
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -195.156926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156926 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.019
local terms energy: -68.332581
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -15.360
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: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -207.083698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.083698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.083698 (E_RNA)
where:
Base-Base interactions energy: -129.489
where: short stacking energy: -64.475
Base-Backbone interact. energy: -0.020
local terms energy: -77.574167
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -86.056334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.056334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.056334 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.137
local terms energy: -54.583663
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -83.691193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.691193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.691193 (E_RNA)
where:
Base-Base interactions energy: -33.784
where: short stacking energy: -28.803
Base-Backbone interact. energy: 1.645
local terms energy: -51.551656
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -2.135
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: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -79.270803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.270803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.270803 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -16.650
Base-Backbone interact. energy: 0.382
local terms energy: -50.463118
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -232.716482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.716482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.716482 (E_RNA)
where:
Base-Base interactions energy: -149.584
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.094
local terms energy: -83.038772
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -20.853
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: 54
Temperature: 0.950000
Total energy: -240.673985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.673985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.673985 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.005
local terms energy: -75.462179
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -219.201809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.201809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.201809 (E_RNA)
where:
Base-Base interactions energy: -144.688
where: short stacking energy: -64.577
Base-Backbone interact. energy: 0.434
local terms energy: -74.948395
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -220.033748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.033748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033748 (E_RNA)
where:
Base-Base interactions energy: -147.719
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.001
local terms energy: -72.314335
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -19.956
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -212.710417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.710417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.710417 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.021
local terms energy: -69.982688
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -195.738100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.738100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.738100 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.335
local terms energy: -63.563835
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -14.758
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: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -196.401993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.401993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.401993 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.277
local terms energy: -69.555769
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.464199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464199 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.137
local terms energy: -49.144921
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -81.629859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.629859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.629859 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.085
local terms energy: -46.345183
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -76.374928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374928 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.067
local terms energy: -26.230430
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: 4.693
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -241.318404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.318404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.318404 (E_RNA)
where:
Base-Base interactions energy: -166.626
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.016
local terms energy: -74.676624
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -227.559615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559615 (E_RNA)
where:
Base-Base interactions energy: -151.309
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.030
local terms energy: -76.220921
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -228.541571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.541571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.541571 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.086
local terms energy: -74.737468
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -210.027973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.027973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.027973 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.453
local terms energy: -73.711072
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -195.815376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.815376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.815376 (E_RNA)
where:
Base-Base interactions energy: -118.154
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.013
local terms energy: -77.648264
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -12.751
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: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -186.025492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.025492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.025492 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.017
local terms energy: -62.324623
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -14.598
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: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -180.475591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.475591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.475591 (E_RNA)
where:
Base-Base interactions energy: -126.242
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.286
local terms energy: -53.947884
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -88.232190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.232190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.232190 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.329
local terms energy: -54.225028
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -85.655019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655019 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -29.577
Base-Backbone interact. energy: 1.307
local terms energy: -55.798632
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.087152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087152 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -25.261
Base-Backbone interact. energy: -0.080
local terms energy: -49.746828
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -239.238934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.238934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.238934 (E_RNA)
where:
Base-Base interactions energy: -162.848
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.412
local terms energy: -75.979013
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -226.391697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.391697 (E_RNA)
where:
Base-Base interactions energy: -155.204
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.002
local terms energy: -71.185957
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -21.872
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: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -221.936993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.936993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.936993 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -64.635
Base-Backbone interact. energy: 1.070
local terms energy: -75.647613
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -6.899
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -216.681305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681305 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.147
local terms energy: -63.050624
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -7.895
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -17.951
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: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -215.747217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.747217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.747217 (E_RNA)
where:
Base-Base interactions energy: -147.296
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.161
local terms energy: -68.289865
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -214.754582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.754582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.754582 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.049
local terms energy: -67.837259
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -173.463934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.463934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.463934 (E_RNA)
where:
Base-Base interactions energy: -128.264
where: short stacking energy: -54.667
Base-Backbone interact. energy: -0.132
local terms energy: -45.067783
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -11.534
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: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -81.727716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727716 (E_RNA)
where:
Base-Base interactions energy: -35.711
where: short stacking energy: -34.390
Base-Backbone interact. energy: 1.836
local terms energy: -47.852367
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -83.458713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458713 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -26.700
Base-Backbone interact. energy: 1.325
local terms energy: -55.830922
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -84.678490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.678490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.678490 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -19.013
Base-Backbone interact. energy: -0.388
local terms energy: -44.122263
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -236.370995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.370995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.370995 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.002
local terms energy: -79.696873
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -14.100
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: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -226.220786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.220786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.220786 (E_RNA)
where:
Base-Base interactions energy: -150.320
where: short stacking energy: -78.219
Base-Backbone interact. energy: -0.028
local terms energy: -75.873368
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.103
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: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -221.211839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.211839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.211839 (E_RNA)
where:
Base-Base interactions energy: -147.945
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.032
local terms energy: -73.234835
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.785
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: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -226.836053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.836053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.836053 (E_RNA)
where:
Base-Base interactions energy: -151.805
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.230
local terms energy: -74.800129
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -11.456
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: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -211.248645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248645 (E_RNA)
where:
Base-Base interactions energy: -138.435
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.096
local terms energy: -72.716782
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -12.943
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: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -205.745521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745521 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.570
local terms energy: -74.995984
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -177.905325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.905325 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -54.053
Base-Backbone interact. energy: -2.352
local terms energy: -61.983520
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -10.961
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: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -76.981924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981924 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.098
local terms energy: -47.275955
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -8.855
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: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -75.147117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.147117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.147117 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.367
local terms energy: -50.776032
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -2.742
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: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -73.665433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665433 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -22.957
Base-Backbone interact. energy: -0.423
local terms energy: -48.619486
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -5.481
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: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -243.435869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.435869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.435869 (E_RNA)
where:
Base-Base interactions energy: -160.888
where: short stacking energy: -71.880
Base-Backbone interact. energy: -0.005
local terms energy: -82.543003
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -23.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -232.564106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.564106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.564106 (E_RNA)
where:
Base-Base interactions energy: -157.797
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.107
local terms energy: -74.660318
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -223.196178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.196178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.196178 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.096
local terms energy: -72.234242
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -207.424636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.424636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.424636 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.087
local terms energy: -67.260884
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -209.240300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.240300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.240300 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.014
local terms energy: -72.369671
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -200.601662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.601662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.601662 (E_RNA)
where:
Base-Base interactions energy: -131.440
where: short stacking energy: -48.439
Base-Backbone interact. energy: -0.615
local terms energy: -68.546913
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -155.562747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.562747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.562747 (E_RNA)
where:
Base-Base interactions energy: -102.776
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.149
local terms energy: -52.637744
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.004
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -84.876118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.876118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.876118 (E_RNA)
where:
Base-Base interactions energy: -29.126
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.093
local terms energy: -55.657267
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -5.139
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: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -80.317167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.317167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.317167 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -29.213
Base-Backbone interact. energy: 0.431
local terms energy: -40.075788
where:
bonds (distance) C4'-P energy: -5.002
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -92.534127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.534127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.534127 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -30.715
Base-Backbone interact. energy: -1.100
local terms energy: -50.535717
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -0.673
tors. eta vs tors. theta energy: -9.130
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -232.685366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.685366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.685366 (E_RNA)
where:
Base-Base interactions energy: -160.585
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.035
local terms energy: -72.064550
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -221.366709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.366709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.366709 (E_RNA)
where:
Base-Base interactions energy: -144.090
where: short stacking energy: -65.126
Base-Backbone interact. energy: -3.307
local terms energy: -73.969019
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -218.000954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.000954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.000954 (E_RNA)
where:
Base-Base interactions energy: -147.969
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.096
local terms energy: -69.935750
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -212.783194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.783194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.783194 (E_RNA)
where:
Base-Base interactions energy: -139.123
where: short stacking energy: -59.131
Base-Backbone interact. energy: -1.136
local terms energy: -72.523667
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -17.995
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: 59
Temperature: 1.100000
Total energy: -212.062072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.062072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.062072 (E_RNA)
where:
Base-Base interactions energy: -137.484
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.043
local terms energy: -74.534848
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -200.334248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.334248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.334248 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -56.390
Base-Backbone interact. energy: -0.440
local terms energy: -70.012359
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -15.911
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: 59
Temperature: 1.200000
Total energy: -188.418132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.418132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.418132 (E_RNA)
where:
Base-Base interactions energy: -125.579
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.192
local terms energy: -62.647621
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -83.759685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.759685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.759685 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -23.846
Base-Backbone interact. energy: -0.217
local terms energy: -56.300744
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -85.074024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074024 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.001
local terms energy: -52.062546
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -69.225298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.225298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.225298 (E_RNA)
where:
Base-Base interactions energy: -24.312
where: short stacking energy: -24.312
Base-Backbone interact. energy: 0.036
local terms energy: -44.948865
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -222.046369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.046369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.046369 (E_RNA)
where:
Base-Base interactions energy: -155.576
where: short stacking energy: -63.265
Base-Backbone interact. energy: -0.119
local terms energy: -66.350941
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -224.559085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.559085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.559085 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.638
local terms energy: -75.969994
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -220.809000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809000 (E_RNA)
where:
Base-Base interactions energy: -148.966
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.212
local terms energy: -71.630887
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -217.512589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512589 (E_RNA)
where:
Base-Base interactions energy: -146.632
where: short stacking energy: -65.191
Base-Backbone interact. energy: 1.605
local terms energy: -72.485636
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -196.387203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.387203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.387203 (E_RNA)
where:
Base-Base interactions energy: -132.238
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.011
local terms energy: -64.137508
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -209.724797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.724797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.724797 (E_RNA)
where:
Base-Base interactions energy: -140.780
where: short stacking energy: -60.092
Base-Backbone interact. energy: -1.243
local terms energy: -67.701600
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -19.621
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: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -200.724655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.724655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.724655 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.827
local terms energy: -64.568092
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -78.252012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.252012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.252012 (E_RNA)
where:
Base-Base interactions energy: -27.089
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.045
local terms energy: -51.118645
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -81.685509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.685509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.685509 (E_RNA)
where:
Base-Base interactions energy: -38.117
where: short stacking energy: -31.022
Base-Backbone interact. energy: -0.153
local terms energy: -43.415828
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -83.415707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.415707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.415707 (E_RNA)
where:
Base-Base interactions energy: -28.794
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.104
local terms energy: -54.517558
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -11.196
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: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -241.036419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.036419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.036419 (E_RNA)
where:
Base-Base interactions energy: -156.646
where: short stacking energy: -71.582
Base-Backbone interact. energy: -2.463
local terms energy: -81.927913
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -229.800475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800475 (E_RNA)
where:
Base-Base interactions energy: -150.074
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.098
local terms energy: -79.628634
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -20.780
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: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -221.553641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.553641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553641 (E_RNA)
where:
Base-Base interactions energy: -151.814
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.762
local terms energy: -68.978210
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -20.680
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: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -215.377582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.377582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.377582 (E_RNA)
where:
Base-Base interactions energy: -148.625
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.522
local terms energy: -66.229984
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -202.347085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.347085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.347085 (E_RNA)
where:
Base-Base interactions energy: -133.179
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.484
local terms energy: -68.683751
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.465
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: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -201.028014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028014 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.003
local terms energy: -62.863379
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -15.616
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: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -201.010105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.010105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.010105 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.084
local terms energy: -71.145653
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -14.252
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -85.159860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.159860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.159860 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.160
local terms energy: -54.322499
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -84.973007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973007 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.074
local terms energy: -50.575542
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.947448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.947448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.947448 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.052
local terms energy: -42.588430
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -223.099408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.099408 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -67.131
Base-Backbone interact. energy: -2.383
local terms energy: -78.059978
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -215.795701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.795701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.795701 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.049
local terms energy: -70.092303
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -221.341925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.341925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.341925 (E_RNA)
where:
Base-Base interactions energy: -144.725
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.032
local terms energy: -76.584378
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -208.989987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.989987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.989987 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.410
local terms energy: -74.080926
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -200.934545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.934545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.934545 (E_RNA)
where:
Base-Base interactions energy: -141.086
where: short stacking energy: -57.577
Base-Backbone interact. energy: 0.676
local terms energy: -60.525310
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -173.656991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.656991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.656991 (E_RNA)
where:
Base-Base interactions energy: -114.479
where: short stacking energy: -46.833
Base-Backbone interact. energy: -0.319
local terms energy: -58.858971
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -183.523250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523250 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.123
local terms energy: -54.108127
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -81.582084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.582084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.582084 (E_RNA)
where:
Base-Base interactions energy: -37.818
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.893
local terms energy: -42.871033
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: 2.585
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -71.498925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.498925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.498925 (E_RNA)
where:
Base-Base interactions energy: -27.303
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.054
local terms energy: -44.141596
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: 2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -75.068840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.068840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.068840 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -16.471
Base-Backbone interact. energy: -0.293
local terms energy: -42.216811
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -232.668506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.668506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.668506 (E_RNA)
where:
Base-Base interactions energy: -155.239
where: short stacking energy: -76.557
Base-Backbone interact. energy: -0.038
local terms energy: -77.391167
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -209.261214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261214 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -63.279
Base-Backbone interact. energy: -0.074
local terms energy: -72.427217
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -221.136785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.136785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.136785 (E_RNA)
where:
Base-Base interactions energy: -148.280
where: short stacking energy: -65.500
Base-Backbone interact. energy: 0.158
local terms energy: -73.013947
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -211.225801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.225801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.225801 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.023
local terms energy: -66.643972
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -217.555818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.555818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.555818 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.327
local terms energy: -73.641780
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -204.492258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.492258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.492258 (E_RNA)
where:
Base-Base interactions energy: -142.959
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.150
local terms energy: -61.383455
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -16.447
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: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -152.743328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.743328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.743328 (E_RNA)
where:
Base-Base interactions energy: -94.862
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.268
local terms energy: -57.613295
where:
bonds (distance) C4'-P energy: -6.295
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -87.329365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.329365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.329365 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -31.206
Base-Backbone interact. energy: 0.713
local terms energy: -52.207847
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -2.486
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: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -87.010321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.010321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.010321 (E_RNA)
where:
Base-Base interactions energy: -35.542
where: short stacking energy: -28.825
Base-Backbone interact. energy: -0.066
local terms energy: -51.402209
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -7.310
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -78.046786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.046786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.046786 (E_RNA)
where:
Base-Base interactions energy: -22.900
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.121
local terms energy: -55.025830
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -237.562773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.562773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.562773 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -71.300
Base-Backbone interact. energy: -1.697
local terms energy: -81.517571
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -20.904
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -223.550438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.550438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.550438 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.039
local terms energy: -80.660846
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -223.825270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.825270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.825270 (E_RNA)
where:
Base-Base interactions energy: -156.178
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.058
local terms energy: -67.589950
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -231.573811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.573811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.573811 (E_RNA)
where:
Base-Base interactions energy: -156.635
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.095
local terms energy: -74.843470
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -206.494652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.494652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.494652 (E_RNA)
where:
Base-Base interactions energy: -131.408
where: short stacking energy: -61.525
Base-Backbone interact. energy: -0.043
local terms energy: -75.043521
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -203.613100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.613100 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.006
local terms energy: -75.336977
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -17.864
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: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -83.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.814312 (E_RNA)
where:
Base-Base interactions energy: -34.833
where: short stacking energy: -32.657
Base-Backbone interact. energy: -0.078
local terms energy: -48.903110
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -143.457442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.457442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.457442 (E_RNA)
where:
Base-Base interactions energy: -89.554
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.190
local terms energy: -53.713408
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -9.221
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: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -85.777090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.777090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.777090 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.175
local terms energy: -47.046322
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -76.345964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.345964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.345964 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.130
local terms energy: -44.219991
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -2.931
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -226.599702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.599702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.599702 (E_RNA)
where:
Base-Base interactions energy: -162.180
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.016
local terms energy: -64.403359
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -221.958720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.958720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.958720 (E_RNA)
where:
Base-Base interactions energy: -148.327
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.125
local terms energy: -73.506005
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -12.284
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: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -221.880451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.880451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.880451 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -68.547
Base-Backbone interact. energy: -1.476
local terms energy: -70.316197
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -220.937881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.937881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.937881 (E_RNA)
where:
Base-Base interactions energy: -151.483
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.004
local terms energy: -69.451184
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -204.735826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.735826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.735826 (E_RNA)
where:
Base-Base interactions energy: -136.682
where: short stacking energy: -62.075
Base-Backbone interact. energy: 0.086
local terms energy: -68.139850
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -209.815804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815804 (E_RNA)
where:
Base-Base interactions energy: -139.336
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.036
local terms energy: -70.443982
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -85.499456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499456 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -24.945
Base-Backbone interact. energy: 0.043
local terms energy: -56.306677
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -144.943479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.943479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.943479 (E_RNA)
where:
Base-Base interactions energy: -96.626
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.084
local terms energy: -48.234302
where:
bonds (distance) C4'-P energy: -5.974
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -71.199284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.199284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.199284 (E_RNA)
where:
Base-Base interactions energy: -25.179
where: short stacking energy: -23.569
Base-Backbone interact. energy: 0.337
local terms energy: -46.357405
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -75.957292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957292 (E_RNA)
where:
Base-Base interactions energy: -22.167
where: short stacking energy: -22.018
Base-Backbone interact. energy: 0.531
local terms energy: -54.320703
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -239.223241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.223241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.223241 (E_RNA)
where:
Base-Base interactions energy: -157.865
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.001
local terms energy: -81.356753
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -218.446232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.446232 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.079
local terms energy: -78.357318
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -18.030
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -211.763034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763034 (E_RNA)
where:
Base-Base interactions energy: -139.769
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.334
local terms energy: -71.660053
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.297
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -223.953555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.953555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.953555 (E_RNA)
where:
Base-Base interactions energy: -154.616
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.093
local terms energy: -69.244547
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -199.041695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.041695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.041695 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.058
local terms energy: -65.551295
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -208.156390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.156390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.156390 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.040
local terms energy: -63.146478
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -9.248
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -17.829
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -151.248438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.248438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.248438 (E_RNA)
where:
Base-Base interactions energy: -93.752
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.033
local terms energy: -57.462663
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -6.493
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: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -80.917291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.917291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.917291 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.166
local terms energy: -53.504721
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -89.219597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.219597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.219597 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.172
local terms energy: -55.469189
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -81.439041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439041 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.006
local terms energy: -51.400526
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -6.552
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: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -237.881258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.881258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.881258 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -71.608
Base-Backbone interact. energy: 0.743
local terms energy: -79.593798
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -215.323140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.323140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.323140 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.727
local terms energy: -72.869154
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -17.601
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: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -223.883965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.883965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.883965 (E_RNA)
where:
Base-Base interactions energy: -147.258
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.150
local terms energy: -76.475897
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -197.598101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.598101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.598101 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.175
local terms energy: -63.768506
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -206.720123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.720123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.720123 (E_RNA)
where:
Base-Base interactions energy: -137.581
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.037
local terms energy: -69.102190
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -19.544
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -206.935973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.935973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.935973 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.069
local terms energy: -71.307797
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.294
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: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -153.739942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.739942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.739942 (E_RNA)
where:
Base-Base interactions energy: -98.238
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.095
local terms energy: -55.406565
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -5.465
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -91.448416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.448416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.448416 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -31.933
Base-Backbone interact. energy: -0.165
local terms energy: -59.349822
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -85.105014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105014 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -18.150
Base-Backbone interact. energy: -0.252
local terms energy: -43.158843
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -81.005488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.005488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.005488 (E_RNA)
where:
Base-Base interactions energy: -31.382
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.108
local terms energy: -49.515035
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -233.064403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.064403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.064403 (E_RNA)
where:
Base-Base interactions energy: -160.246
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.038
local terms energy: -72.779898
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -6.921
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: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -227.351918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.351918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.351918 (E_RNA)
where:
Base-Base interactions energy: -150.875
where: short stacking energy: -69.203
Base-Backbone interact. energy: -0.012
local terms energy: -76.464569
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -21.401
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: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -226.830759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.830759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.830759 (E_RNA)
where:
Base-Base interactions energy: -160.125
where: short stacking energy: -76.225
Base-Backbone interact. energy: -0.011
local terms energy: -66.695598
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.302
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: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -224.143405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.143405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.143405 (E_RNA)
where:
Base-Base interactions energy: -146.106
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.025
local terms energy: -78.012608
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -201.711918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.711918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.711918 (E_RNA)
where:
Base-Base interactions energy: -136.766
where: short stacking energy: -55.595
Base-Backbone interact. energy: -1.327
local terms energy: -63.618936
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.887
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -210.084754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.084754 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.079
local terms energy: -66.663789
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -171.116077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.116077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.116077 (E_RNA)
where:
Base-Base interactions energy: -109.930
where: short stacking energy: -52.450
Base-Backbone interact. energy: -0.506
local terms energy: -60.679370
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.621
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: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -98.361397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.361397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.361397 (E_RNA)
where:
Base-Base interactions energy: -49.000
where: short stacking energy: -26.339
Base-Backbone interact. energy: 0.115
local terms energy: -49.475777
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -78.681366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.681366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.681366 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.336
local terms energy: -50.890654
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.346
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: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -115.081780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.081780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.081780 (E_RNA)
where:
Base-Base interactions energy: -62.202
where: short stacking energy: -35.563
Base-Backbone interact. energy: -0.108
local terms energy: -52.771854
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -220.964894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.964894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.964894 (E_RNA)
where:
Base-Base interactions energy: -147.639
where: short stacking energy: -51.530
Base-Backbone interact. energy: -0.043
local terms energy: -73.282793
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -227.089493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089493 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.603
local terms energy: -72.329656
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -216.076825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.076825 (E_RNA)
where:
Base-Base interactions energy: -142.394
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.044
local terms energy: -73.638397
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -20.028
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: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -209.030472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.030472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.030472 (E_RNA)
where:
Base-Base interactions energy: -135.662
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.982
local terms energy: -72.386189
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -19.689
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: 69
Temperature: 1.100000
Total energy: -208.872016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.872016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.872016 (E_RNA)
where:
Base-Base interactions energy: -137.599
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.003
local terms energy: -71.269573
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -199.780938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.780938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.780938 (E_RNA)
where:
Base-Base interactions energy: -137.567
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.066
local terms energy: -62.147588
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -150.565422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.565422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.565422 (E_RNA)
where:
Base-Base interactions energy: -88.178
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.054
local terms energy: -62.332707
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -111.145943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.145943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.145943 (E_RNA)
where:
Base-Base interactions energy: -52.364
where: short stacking energy: -36.223
Base-Backbone interact. energy: -0.563
local terms energy: -58.219327
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -10.579
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: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -84.317163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317163 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -28.596
Base-Backbone interact. energy: -0.044
local terms energy: -54.963846
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -74.738717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.738717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.738717 (E_RNA)
where:
Base-Base interactions energy: -24.715
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.152
local terms energy: -49.872153
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -235.388768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.388768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.388768 (E_RNA)
where:
Base-Base interactions energy: -159.305
where: short stacking energy: -76.115
Base-Backbone interact. energy: -0.006
local terms energy: -76.077940
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -229.189630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.189630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.189630 (E_RNA)
where:
Base-Base interactions energy: -153.263
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.711
local terms energy: -75.216242
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -13.268
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: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -229.790513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.790513 (E_RNA)
where:
Base-Base interactions energy: -150.438
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.209
local terms energy: -79.143541
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.294
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: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -210.664418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.664418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.664418 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -60.264
Base-Backbone interact. energy: 0.032
local terms energy: -79.822977
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -16.711
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: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -201.618226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.618226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.618226 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.111
local terms energy: -65.158216
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -203.499150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.499150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.499150 (E_RNA)
where:
Base-Base interactions energy: -130.016
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.232
local terms energy: -73.250976
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -137.563521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.563521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.563521 (E_RNA)
where:
Base-Base interactions energy: -70.658
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.519
local terms energy: -66.386480
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -77.446510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.446510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.446510 (E_RNA)
where:
Base-Base interactions energy: -22.836
where: short stacking energy: -22.836
Base-Backbone interact. energy: -0.194
local terms energy: -54.416011
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -103.959596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.959596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.959596 (E_RNA)
where:
Base-Base interactions energy: -44.801
where: short stacking energy: -43.848
Base-Backbone interact. energy: -0.042
local terms energy: -59.116247
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -75.978273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.978273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.978273 (E_RNA)
where:
Base-Base interactions energy: -27.394
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.027
local terms energy: -48.557134
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -1.491
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: 71
Temperature: 0.900000
Total energy: -217.899992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899992 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.213
local terms energy: -69.237468
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -18.510
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -220.130771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.130771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.130771 (E_RNA)
where:
Base-Base interactions energy: -144.358
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.108
local terms energy: -75.665254
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -230.305550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.305550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.305550 (E_RNA)
where:
Base-Base interactions energy: -157.235
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.022
local terms energy: -73.049127
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -206.091181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.091181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.091181 (E_RNA)
where:
Base-Base interactions energy: -131.546
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.148
local terms energy: -74.396823
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.090
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: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -212.699301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.699301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.699301 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.064
local terms energy: -67.838204
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -198.426554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.426554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.426554 (E_RNA)
where:
Base-Base interactions energy: -136.615
where: short stacking energy: -57.391
Base-Backbone interact. energy: 0.378
local terms energy: -62.189129
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -139.217608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.217608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.217608 (E_RNA)
where:
Base-Base interactions energy: -74.089
where: short stacking energy: -36.608
Base-Backbone interact. energy: 1.289
local terms energy: -66.417219
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -87.963416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963416 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.041
local terms energy: -43.974958
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -91.495871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495871 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -31.501
Base-Backbone interact. energy: -0.204
local terms energy: -45.468374
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -69.267958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.267958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.267958 (E_RNA)
where:
Base-Base interactions energy: -20.338
where: short stacking energy: -20.338
Base-Backbone interact. energy: -0.268
local terms energy: -48.662006
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -227.434982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.434982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.434982 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.173
local terms energy: -76.160494
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -213.209409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.209409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.209409 (E_RNA)
where:
Base-Base interactions energy: -140.995
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.082
local terms energy: -72.132372
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -216.763395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763395 (E_RNA)
where:
Base-Base interactions energy: -138.676
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.002
local terms energy: -78.085449
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.632
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: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -227.499320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.499320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.499320 (E_RNA)
where:
Base-Base interactions energy: -152.774
where: short stacking energy: -73.622
Base-Backbone interact. energy: -1.112
local terms energy: -73.612858
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.469
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: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -224.680985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.680985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680985 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.285
local terms energy: -70.610044
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -210.806647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.806647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.806647 (E_RNA)
where:
Base-Base interactions energy: -141.943
where: short stacking energy: -72.246
Base-Backbone interact. energy: -1.864
local terms energy: -67.000091
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -149.066175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.066175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.066175 (E_RNA)
where:
Base-Base interactions energy: -89.064
where: short stacking energy: -42.165
Base-Backbone interact. energy: -0.009
local terms energy: -59.992751
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -88.600671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600671 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.038
local terms energy: -56.813139
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -9.261
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -80.769624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.769624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.769624 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -24.369
Base-Backbone interact. energy: -0.269
local terms energy: -56.131897
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -73.580419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.580419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.580419 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -25.453
Base-Backbone interact. energy: -0.052
local terms energy: -48.174842
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -220.871075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871075 (E_RNA)
where:
Base-Base interactions energy: -142.803
where: short stacking energy: -66.096
Base-Backbone interact. energy: 1.344
local terms energy: -79.411786
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -223.952922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.952922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.952922 (E_RNA)
where:
Base-Base interactions energy: -145.995
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.007
local terms energy: -77.950239
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -216.789859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.789859 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.091
local terms energy: -71.576303
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -222.009119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.009119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.009119 (E_RNA)
where:
Base-Base interactions energy: -147.303
where: short stacking energy: -69.145
Base-Backbone interact. energy: -0.001
local terms energy: -74.705093
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -209.845376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.845376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.845376 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.172
local terms energy: -63.873816
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -209.602591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.602591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.602591 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -68.196
Base-Backbone interact. energy: -1.077
local terms energy: -62.632925
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -16.841
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: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -189.042213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.042213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.042213 (E_RNA)
where:
Base-Base interactions energy: -126.374
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.312
local terms energy: -62.356083
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -99.230430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.230430 (E_RNA)
where:
Base-Base interactions energy: -51.699
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.859
local terms energy: -46.672055
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -80.009631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.009631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.009631 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.191
local terms energy: -47.891200
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -0.213
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: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -111.944447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.944447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.944447 (E_RNA)
where:
Base-Base interactions energy: -59.954
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.214
local terms energy: -51.776546
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -4.807
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: 74
Temperature: 0.900000
Total energy: -233.767973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.767973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.767973 (E_RNA)
where:
Base-Base interactions energy: -153.814
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.076
local terms energy: -79.877530
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -218.930220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.930220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.930220 (E_RNA)
where:
Base-Base interactions energy: -143.624
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.256
local terms energy: -75.049727
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -19.081
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: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -225.580937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.580937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.580937 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.161
local terms energy: -70.239905
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.441
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -219.963401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.963401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.963401 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -57.670
Base-Backbone interact. energy: -1.072
local terms energy: -68.822968
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -6.691
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: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -209.785566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.785566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785566 (E_RNA)
where:
Base-Base interactions energy: -138.333
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.010
local terms energy: -71.442766
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -19.533
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: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -201.574478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.574478 (E_RNA)
where:
Base-Base interactions energy: -132.793
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.589
local terms energy: -68.193140
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -6.598
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: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -179.622408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.622408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.622408 (E_RNA)
where:
Base-Base interactions energy: -117.096
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.065
local terms energy: -62.461116
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -11.963
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: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -98.068693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068693 (E_RNA)
where:
Base-Base interactions energy: -33.565
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.133
local terms energy: -64.371395
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -133.779555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.779555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.779555 (E_RNA)
where:
Base-Base interactions energy: -76.497
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.303
local terms energy: -56.979757
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -76.073469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.073469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.073469 (E_RNA)
where:
Base-Base interactions energy: -26.485
where: short stacking energy: -21.166
Base-Backbone interact. energy: -0.200
local terms energy: -49.388555
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -1.211
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: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -230.804373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.804373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.804373 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -68.282
Base-Backbone interact. energy: -0.376
local terms energy: -77.163326
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -235.568004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.568004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.568004 (E_RNA)
where:
Base-Base interactions energy: -164.398
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.285
local terms energy: -70.884529
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -232.145161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.145161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.145161 (E_RNA)
where:
Base-Base interactions energy: -158.906
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.685
local terms energy: -72.554349
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -8.674
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -211.256291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.256291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.256291 (E_RNA)
where:
Base-Base interactions energy: -148.040
where: short stacking energy: -66.538
Base-Backbone interact. energy: 0.395
local terms energy: -63.611215
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -221.028085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.028085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.028085 (E_RNA)
where:
Base-Base interactions energy: -147.610
where: short stacking energy: -67.255
Base-Backbone interact. energy: -0.813
local terms energy: -72.605739
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.845
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: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -200.759159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.759159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.759159 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -55.104
Base-Backbone interact. energy: -1.804
local terms energy: -67.246669
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -14.421
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: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -199.225620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225620 (E_RNA)
where:
Base-Base interactions energy: -124.991
where: short stacking energy: -64.866
Base-Backbone interact. energy: -1.373
local terms energy: -72.860920
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -185.979770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.979770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.979770 (E_RNA)
where:
Base-Base interactions energy: -115.425
where: short stacking energy: -50.870
Base-Backbone interact. energy: -0.036
local terms energy: -70.519545
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -78.468460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.468460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.468460 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -32.493
Base-Backbone interact. energy: 0.426
local terms energy: -46.402160
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -71.412604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.412604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.412604 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -25.319
Base-Backbone interact. energy: -0.159
local terms energy: -41.002889
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -230.746258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.746258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.746258 (E_RNA)
where:
Base-Base interactions energy: -156.650
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.418
local terms energy: -73.677768
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.105
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -226.974681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.974681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.974681 (E_RNA)
where:
Base-Base interactions energy: -150.253
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.616
local terms energy: -76.105506
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -20.938
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: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -218.969646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.969646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.969646 (E_RNA)
where:
Base-Base interactions energy: -149.468
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.588
local terms energy: -68.914177
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -211.963580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.963580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.963580 (E_RNA)
where:
Base-Base interactions energy: -144.875
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.289
local terms energy: -66.799744
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -7.752
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -210.229085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.229085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.229085 (E_RNA)
where:
Base-Base interactions energy: -140.231
where: short stacking energy: -62.543
Base-Backbone interact. energy: 0.065
local terms energy: -70.063716
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.149
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: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -205.655529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.655529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.655529 (E_RNA)
where:
Base-Base interactions energy: -135.550
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.110
local terms energy: -69.994828
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -200.504642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.504642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.504642 (E_RNA)
where:
Base-Base interactions energy: -129.478
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.001
local terms energy: -71.026049
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -199.695130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.695130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.695130 (E_RNA)
where:
Base-Base interactions energy: -137.441
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.346
local terms energy: -61.908652
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -72.029566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.029566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.029566 (E_RNA)
where:
Base-Base interactions energy: -28.390
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.967
local terms energy: -42.672642
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -84.767475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767475 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.082
local terms energy: -44.785548
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -3.824
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -4.553
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -230.100217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.100217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.100217 (E_RNA)
where:
Base-Base interactions energy: -153.889
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.023
local terms energy: -76.188062
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.739
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: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -234.690818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.690818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.690818 (E_RNA)
where:
Base-Base interactions energy: -158.315
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.006
local terms energy: -76.370624
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -23.660
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: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -222.430606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.430606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.430606 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -65.309
Base-Backbone interact. energy: -0.300
local terms energy: -74.776574
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -13.377
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -214.852636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.852636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.852636 (E_RNA)
where:
Base-Base interactions energy: -150.759
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.002
local terms energy: -64.091871
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -10.341
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -202.967753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.967753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967753 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -60.894
Base-Backbone interact. energy: 1.948
local terms energy: -69.572260
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -6.660
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: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -196.178089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.178089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.178089 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.058
local terms energy: -66.534068
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -203.573428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.573428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.573428 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.004
local terms energy: -65.666530
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -4.419
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: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -197.605144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.605144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.605144 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.005
local terms energy: -74.254228
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -75.052660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.052660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.052660 (E_RNA)
where:
Base-Base interactions energy: -24.763
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.773
local terms energy: -49.516090
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -72.732756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.732756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.732756 (E_RNA)
where:
Base-Base interactions energy: -19.873
where: short stacking energy: -19.873
Base-Backbone interact. energy: -0.143
local terms energy: -52.717273
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -3.553
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: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -238.188094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.188094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.188094 (E_RNA)
where:
Base-Base interactions energy: -160.023
where: short stacking energy: -74.928
Base-Backbone interact. energy: -0.002
local terms energy: -78.163317
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -232.381297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.381297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.381297 (E_RNA)
where:
Base-Base interactions energy: -156.392
where: short stacking energy: -71.062
Base-Backbone interact. energy: -2.176
local terms energy: -73.813366
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -218.913888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.913888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.913888 (E_RNA)
where:
Base-Base interactions energy: -144.717
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.092
local terms energy: -74.104464
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -12.010
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -207.618515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.618515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.618515 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.642
local terms energy: -69.211861
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -13.999
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -205.668790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.668790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.668790 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.707
local terms energy: -64.506905
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -17.247
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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -214.016111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.016111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.016111 (E_RNA)
where:
Base-Base interactions energy: -140.518
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.370
local terms energy: -73.128132
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -20.928
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: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -176.326882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.326882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.326882 (E_RNA)
where:
Base-Base interactions energy: -113.664
where: short stacking energy: -55.868
Base-Backbone interact. energy: 0.947
local terms energy: -63.609485
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -9.641
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: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -180.471090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.471090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.471090 (E_RNA)
where:
Base-Base interactions energy: -115.915
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.890
local terms energy: -63.665925
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -82.548371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548371 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -30.294
Base-Backbone interact. energy: 0.338
local terms energy: -47.338090
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -1.932
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -89.546821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546821 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.181
local terms energy: -54.154152
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -227.334023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.334023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.334023 (E_RNA)
where:
Base-Base interactions energy: -156.079
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.129
local terms energy: -71.125818
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -225.934219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.934219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.934219 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -69.167
Base-Backbone interact. energy: -0.112
local terms energy: -69.351303
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -225.907435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.907435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907435 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.252
local terms energy: -73.161634
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -19.967
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -215.175445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.175445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.175445 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -61.263
Base-Backbone interact. energy: -0.216
local terms energy: -68.272060
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -203.376674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.376674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.376674 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.093
local terms energy: -69.906993
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -16.093
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: 79
Temperature: 1.150000
Total energy: -200.318324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.318324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.318324 (E_RNA)
where:
Base-Base interactions energy: -128.477
where: short stacking energy: -55.721
Base-Backbone interact. energy: -0.082
local terms energy: -71.759999
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -10.649
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: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -164.848125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.848125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.848125 (E_RNA)
where:
Base-Base interactions energy: -110.074
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.184
local terms energy: -54.589517
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -90.505131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505131 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.091
local terms energy: -56.112783
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -182.384404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.384404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.384404 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.695
local terms energy: -46.994163
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: 1.093
tors. eta vs tors. theta energy: -18.432
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: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -120.483561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.483561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.483561 (E_RNA)
where:
Base-Base interactions energy: -70.057
where: short stacking energy: -31.254
Base-Backbone interact. energy: 0.204
local terms energy: -50.630054
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -229.375145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.375145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.375145 (E_RNA)
where:
Base-Base interactions energy: -156.611
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.002
local terms energy: -72.762838
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -20.355
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -238.611189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.611189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.611189 (E_RNA)
where:
Base-Base interactions energy: -156.646
where: short stacking energy: -73.001
Base-Backbone interact. energy: -0.001
local terms energy: -81.963612
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -214.151480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151480 (E_RNA)
where:
Base-Base interactions energy: -145.538
where: short stacking energy: -60.379
Base-Backbone interact. energy: -0.145
local terms energy: -68.468451
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.904
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: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -231.167828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.167828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.167828 (E_RNA)
where:
Base-Base interactions energy: -160.428
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.002
local terms energy: -70.738408
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.362
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -201.353525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.353525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.353525 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.155
local terms energy: -75.738333
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -202.824519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.824519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.824519 (E_RNA)
where:
Base-Base interactions energy: -127.475
where: short stacking energy: -50.095
Base-Backbone interact. energy: -0.070
local terms energy: -75.279425
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -15.533
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: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -159.845290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.845290 (E_RNA)
where:
Base-Base interactions energy: -101.018
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.141
local terms energy: -58.686513
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -5.290
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -13.445
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -91.753635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.753635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.753635 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -32.438
Base-Backbone interact. energy: -0.132
local terms energy: -56.342944
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -137.420952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.420952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.420952 (E_RNA)
where:
Base-Base interactions energy: -75.150
where: short stacking energy: -38.635
Base-Backbone interact. energy: 0.094
local terms energy: -62.364341
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -124.854225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.854225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.854225 (E_RNA)
where:
Base-Base interactions energy: -73.219
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.080
local terms energy: -51.554739
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -231.965719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.965719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.965719 (E_RNA)
where:
Base-Base interactions energy: -150.735
where: short stacking energy: -73.824
Base-Backbone interact. energy: -0.063
local terms energy: -81.167409
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -237.193266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.193266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.193266 (E_RNA)
where:
Base-Base interactions energy: -157.401
where: short stacking energy: -74.171
Base-Backbone interact. energy: -0.413
local terms energy: -79.379346
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -221.654762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654762 (E_RNA)
where:
Base-Base interactions energy: -144.880
where: short stacking energy: -66.279
Base-Backbone interact. energy: -2.156
local terms energy: -74.617943
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -10.470
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: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -201.694131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.694131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.694131 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.078
local terms energy: -73.436846
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -214.031371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.031371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.031371 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.065
local terms energy: -73.012849
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.210
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: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -207.089060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.089060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.089060 (E_RNA)
where:
Base-Base interactions energy: -140.641
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.002
local terms energy: -66.446003
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -19.327
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: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -141.763451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.763451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.763451 (E_RNA)
where:
Base-Base interactions energy: -91.153
where: short stacking energy: -48.057
Base-Backbone interact. energy: -0.123
local terms energy: -50.487592
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -3.283
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -161.241547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241547 (E_RNA)
where:
Base-Base interactions energy: -98.207
where: short stacking energy: -49.323
Base-Backbone interact. energy: -0.025
local terms energy: -63.010169
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -6.253
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -90.529013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.529013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.529013 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -28.913
Base-Backbone interact. energy: -0.022
local terms energy: -54.137821
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -7.213
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.931649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.931649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.931649 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.231
local terms energy: -53.926748
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -225.885268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.885268 (E_RNA)
where:
Base-Base interactions energy: -145.405
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.046
local terms energy: -80.434091
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -20.634
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: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -234.494762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.494762 (E_RNA)
where:
Base-Base interactions energy: -155.387
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.010
local terms energy: -79.098445
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -215.223737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.223737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.223737 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.150
local terms energy: -69.471560
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -17.714
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: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -225.165321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.165321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.165321 (E_RNA)
where:
Base-Base interactions energy: -150.195
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.001
local terms energy: -74.969399
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -200.522372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.522372 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.096
local terms energy: -69.649450
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -16.340
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: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -210.267599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.267599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.267599 (E_RNA)
where:
Base-Base interactions energy: -140.761
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.096
local terms energy: -69.410801
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -145.219205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.219205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.219205 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.039
local terms energy: -58.738794
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -140.022898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.022898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.022898 (E_RNA)
where:
Base-Base interactions energy: -81.358
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.352
local terms energy: -58.312399
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -85.841822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.841822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.841822 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -31.685
Base-Backbone interact. energy: 0.415
local terms energy: -52.936258
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.895
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -78.451223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.451223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.451223 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.143
local terms energy: -43.186309
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -3.024
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: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -229.172381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172381 (E_RNA)
where:
Base-Base interactions energy: -156.721
where: short stacking energy: -59.009
Base-Backbone interact. energy: -1.054
local terms energy: -71.397283
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -230.074099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.074099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.074099 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.002
local terms energy: -78.266374
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.589
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: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -222.943086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.943086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.943086 (E_RNA)
where:
Base-Base interactions energy: -155.918
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.038
local terms energy: -66.987520
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -209.699493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699493 (E_RNA)
where:
Base-Base interactions energy: -135.464
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.488
local terms energy: -73.747133
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -197.140124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.140124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.140124 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.103
local terms energy: -67.839878
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.260
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: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -204.061954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.061954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.061954 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.059
local terms energy: -72.143300
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -16.262
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: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -138.770573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.770573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.770573 (E_RNA)
where:
Base-Base interactions energy: -80.809
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.001
local terms energy: -57.960162
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -6.320
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: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -162.272978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.272978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.272978 (E_RNA)
where:
Base-Base interactions energy: -98.857
where: short stacking energy: -36.132
Base-Backbone interact. energy: -0.077
local terms energy: -63.339727
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -101.204472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.204472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.204472 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.082
local terms energy: -56.420390
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -3.512
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: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -71.823912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.823912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.823912 (E_RNA)
where:
Base-Base interactions energy: -28.786
where: short stacking energy: -28.786
Base-Backbone interact. energy: -0.082
local terms energy: -42.955872
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: 0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -238.113892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.113892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.113892 (E_RNA)
where:
Base-Base interactions energy: -153.897
where: short stacking energy: -79.536
Base-Backbone interact. energy: -0.004
local terms energy: -84.212835
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -13.949
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: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -227.573413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.573413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.573413 (E_RNA)
where:
Base-Base interactions energy: -155.735
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.695
local terms energy: -71.143386
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -222.429842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.429842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.429842 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.004
local terms energy: -64.045021
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -7.141
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -19.661
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -202.708331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.708331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.708331 (E_RNA)
where:
Base-Base interactions energy: -127.587
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.332
local terms energy: -74.789545
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -12.633
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: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -217.411122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.411122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.411122 (E_RNA)
where:
Base-Base interactions energy: -138.346
where: short stacking energy: -69.897
Base-Backbone interact. energy: 0.159
local terms energy: -79.224563
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -208.818974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.818974 (E_RNA)
where:
Base-Base interactions energy: -139.907
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.063
local terms energy: -68.848428
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -7.811
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.962
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: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -204.404871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.404871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.404871 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.121
local terms energy: -70.568216
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -16.980
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -120.099779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.099779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.099779 (E_RNA)
where:
Base-Base interactions energy: -73.536
where: short stacking energy: -35.652
Base-Backbone interact. energy: -0.124
local terms energy: -46.439504
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -86.149307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149307 (E_RNA)
where:
Base-Base interactions energy: -29.641
where: short stacking energy: -21.690
Base-Backbone interact. energy: -0.166
local terms energy: -56.342286
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -91.800688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.800688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.800688 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.073
local terms energy: -56.202007
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -232.207264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.207264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.207264 (E_RNA)
where:
Base-Base interactions energy: -159.278
where: short stacking energy: -71.813
Base-Backbone interact. energy: -0.022
local terms energy: -72.907803
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -237.920880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.920880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.920880 (E_RNA)
where:
Base-Base interactions energy: -158.846
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.081
local terms energy: -78.994625
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -20.041
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: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -225.217121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.217121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.217121 (E_RNA)
where:
Base-Base interactions energy: -146.312
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.003
local terms energy: -78.901908
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -11.641
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -212.879057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.879057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.879057 (E_RNA)
where:
Base-Base interactions energy: -135.387
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.023
local terms energy: -77.469048
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -185.400143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.400143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.400143 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.616
local terms energy: -54.635392
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -204.560503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560503 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -52.576
Base-Backbone interact. energy: -1.187
local terms energy: -70.956219
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -191.437335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.437335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.437335 (E_RNA)
where:
Base-Base interactions energy: -130.429
where: short stacking energy: -55.703
Base-Backbone interact. energy: -0.153
local terms energy: -60.855803
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -12.464
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -89.615130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.615130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.615130 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.252
local terms energy: -57.408120
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -7.108
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: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -141.912246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.912246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.912246 (E_RNA)
where:
Base-Base interactions energy: -86.774
where: short stacking energy: -37.149
Base-Backbone interact. energy: -0.308
local terms energy: -54.830672
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -74.568252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.568252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.568252 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -20.774
Base-Backbone interact. energy: 0.052
local terms energy: -43.066454
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -231.229747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.229747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.229747 (E_RNA)
where:
Base-Base interactions energy: -153.943
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.065
local terms energy: -77.221295
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -232.044668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.044668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.044668 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.122
local terms energy: -84.883889
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -220.425058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425058 (E_RNA)
where:
Base-Base interactions energy: -143.622
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.804
local terms energy: -75.999365
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -202.405761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405761 (E_RNA)
where:
Base-Base interactions energy: -137.952
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.592
local terms energy: -63.860887
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.068
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: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -202.060555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.060555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.060555 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -62.099
Base-Backbone interact. energy: 1.151
local terms energy: -69.311809
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -175.795088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795088 (E_RNA)
where:
Base-Base interactions energy: -113.314
where: short stacking energy: -45.976
Base-Backbone interact. energy: -0.003
local terms energy: -62.478337
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -0.193
tors. eta vs tors. theta energy: -15.211
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -142.078146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.078146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.078146 (E_RNA)
where:
Base-Base interactions energy: -78.087
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.076
local terms energy: -63.914514
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -83.669345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669345 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -28.621
Base-Backbone interact. energy: 2.360
local terms energy: -51.026334
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -149.115760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.115760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.115760 (E_RNA)
where:
Base-Base interactions energy: -94.937
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.177
local terms energy: -54.001706
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.217204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217204 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.909
local terms energy: -45.142920
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -224.681971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.681971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.681971 (E_RNA)
where:
Base-Base interactions energy: -152.338
where: short stacking energy: -70.631
Base-Backbone interact. energy: 0.187
local terms energy: -72.531133
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -231.445850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.445850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.445850 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.000
local terms energy: -80.407624
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -219.187811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.187811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.187811 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.001
local terms energy: -73.248661
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -22.636
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: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -211.441541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.441541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.441541 (E_RNA)
where:
Base-Base interactions energy: -140.825
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.515
local terms energy: -70.102101
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -205.473994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.473994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.473994 (E_RNA)
where:
Base-Base interactions energy: -141.875
where: short stacking energy: -61.260
Base-Backbone interact. energy: 1.969
local terms energy: -65.567697
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -14.801
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -152.477984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.477984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.477984 (E_RNA)
where:
Base-Base interactions energy: -84.326
where: short stacking energy: -43.274
Base-Backbone interact. energy: -0.220
local terms energy: -67.932423
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -162.147340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.147340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.147340 (E_RNA)
where:
Base-Base interactions energy: -107.408
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.842
local terms energy: -53.897376
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -147.377141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.377141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.377141 (E_RNA)
where:
Base-Base interactions energy: -89.877
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.009
local terms energy: -57.490378
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -12.634
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: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -92.761702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761702 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -33.443
Base-Backbone interact. energy: 0.262
local terms energy: -58.949593
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -73.946473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.946473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.946473 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -21.579
Base-Backbone interact. energy: -0.663
local terms energy: -36.803295
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -221.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.993593 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -66.423
Base-Backbone interact. energy: -3.763
local terms energy: -77.689641
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.479
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: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -231.839201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.839201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.839201 (E_RNA)
where:
Base-Base interactions energy: -149.628
where: short stacking energy: -70.314
Base-Backbone interact. energy: -1.002
local terms energy: -81.209315
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.759
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: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.481882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.481882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.481882 (E_RNA)
where:
Base-Base interactions energy: -139.345
where: short stacking energy: -69.639
Base-Backbone interact. energy: 1.451
local terms energy: -81.587508
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -207.708932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.708932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.708932 (E_RNA)
where:
Base-Base interactions energy: -138.823
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.071
local terms energy: -68.814879
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.412
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: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -216.974945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.974945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.974945 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.018
local terms energy: -78.217599
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -154.240182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.240182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.240182 (E_RNA)
where:
Base-Base interactions energy: -89.113
where: short stacking energy: -47.553
Base-Backbone interact. energy: 0.163
local terms energy: -65.289736
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.683
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: 88
Temperature: 1.200000
Total energy: -142.204271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.204271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.204271 (E_RNA)
where:
Base-Base interactions energy: -84.038
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.435
local terms energy: -57.731243
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -143.154620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.154620 (E_RNA)
where:
Base-Base interactions energy: -91.462
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.277
local terms energy: -51.415833
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -76.287634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287634 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -22.006
Base-Backbone interact. energy: -0.126
local terms energy: -50.434892
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -72.164732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.164732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.164732 (E_RNA)
where:
Base-Base interactions energy: -18.682
where: short stacking energy: -18.682
Base-Backbone interact. energy: 0.698
local terms energy: -54.180947
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -235.837008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.837008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.837008 (E_RNA)
where:
Base-Base interactions energy: -155.852
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.012
local terms energy: -79.973064
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -21.653
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -224.095943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.095943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.095943 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -75.219
Base-Backbone interact. energy: -0.249
local terms energy: -71.563935
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -226.153769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.153769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.153769 (E_RNA)
where:
Base-Base interactions energy: -151.025
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.070
local terms energy: -75.058971
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -207.602381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.602381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.602381 (E_RNA)
where:
Base-Base interactions energy: -137.487
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.184
local terms energy: -69.931019
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -19.053
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: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -222.138994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.138994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.138994 (E_RNA)
where:
Base-Base interactions energy: -149.832
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.088
local terms energy: -72.218538
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -169.001390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.001390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.001390 (E_RNA)
where:
Base-Base interactions energy: -104.746
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.546
local terms energy: -63.709844
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -9.229
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: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -165.198917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198917 (E_RNA)
where:
Base-Base interactions energy: -104.667
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.666
local terms energy: -59.865912
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -6.257
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: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -148.534027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.534027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.534027 (E_RNA)
where:
Base-Base interactions energy: -94.459
where: short stacking energy: -44.657
Base-Backbone interact. energy: -0.187
local terms energy: -53.888417
where:
bonds (distance) C4'-P energy: -7.898
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -90.655784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.655784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.655784 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -28.283
Base-Backbone interact. energy: -0.097
local terms energy: -42.888482
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -74.918177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.918177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.918177 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -24.255
Base-Backbone interact. energy: -0.068
local terms energy: -49.626067
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -228.010627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010627 (E_RNA)
where:
Base-Base interactions energy: -147.952
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.016
local terms energy: -80.042068
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -236.581645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.581645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.581645 (E_RNA)
where:
Base-Base interactions energy: -153.870
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.795
local terms energy: -81.916259
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -218.740731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.740731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.740731 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.489
local terms energy: -77.502564
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.574
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: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -225.171952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.171952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.171952 (E_RNA)
where:
Base-Base interactions energy: -150.993
where: short stacking energy: -68.271
Base-Backbone interact. energy: 0.501
local terms energy: -74.679893
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -201.883947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.883947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.883947 (E_RNA)
where:
Base-Base interactions energy: -134.388
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.034
local terms energy: -67.462051
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -186.226759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.226759 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.450
local terms energy: -73.083878
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -172.119853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.119853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.119853 (E_RNA)
where:
Base-Base interactions energy: -118.706
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.087
local terms energy: -53.327267
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -10.815
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -146.533385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.533385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.533385 (E_RNA)
where:
Base-Base interactions energy: -89.465
where: short stacking energy: -48.920
Base-Backbone interact. energy: 1.728
local terms energy: -58.796655
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -11.199
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: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -81.916481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.916481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.916481 (E_RNA)
where:
Base-Base interactions energy: -28.521
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.055
local terms energy: -53.340269
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -3.954
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: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -85.720459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.720459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.720459 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -29.617
Base-Backbone interact. energy: 2.199
local terms energy: -52.832001
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -241.657072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.657072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.657072 (E_RNA)
where:
Base-Base interactions energy: -159.648
where: short stacking energy: -72.566
Base-Backbone interact. energy: -1.941
local terms energy: -80.068435
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -12.678
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: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -219.074799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074799 (E_RNA)
where:
Base-Base interactions energy: -140.249
where: short stacking energy: -67.775
Base-Backbone interact. energy: -1.323
local terms energy: -77.503050
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -21.852
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: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -216.303835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.303835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.303835 (E_RNA)
where:
Base-Base interactions energy: -145.502
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.025
local terms energy: -70.777372
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -17.970
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: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -216.052472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.052472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.052472 (E_RNA)
where:
Base-Base interactions energy: -140.840
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.062
local terms energy: -75.150465
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -209.797457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.797457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.797457 (E_RNA)
where:
Base-Base interactions energy: -136.477
where: short stacking energy: -67.607
Base-Backbone interact. energy: -1.082
local terms energy: -72.238597
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.832
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: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -170.960760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.960760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.960760 (E_RNA)
where:
Base-Base interactions energy: -111.947
where: short stacking energy: -45.635
Base-Backbone interact. energy: -0.736
local terms energy: -58.278190
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -9.040
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: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -151.991656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.991656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.991656 (E_RNA)
where:
Base-Base interactions energy: -88.542
where: short stacking energy: -47.761
Base-Backbone interact. energy: -0.594
local terms energy: -62.855734
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -87.725686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725686 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -22.295
Base-Backbone interact. energy: 1.128
local terms energy: -55.516755
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -3.215
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: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -132.410620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.410620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.410620 (E_RNA)
where:
Base-Base interactions energy: -78.309
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.630
local terms energy: -53.471165
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -2.486
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: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.069762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.069762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.069762 (E_RNA)
where:
Base-Base interactions energy: -34.105
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.125
local terms energy: -46.839488
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -221.726572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726572 (E_RNA)
where:
Base-Base interactions energy: -152.588
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.540
local terms energy: -68.597794
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -234.110765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.110765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.110765 (E_RNA)
where:
Base-Base interactions energy: -153.188
where: short stacking energy: -66.511
Base-Backbone interact. energy: -0.018
local terms energy: -80.904831
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -220.347025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.347025 (E_RNA)
where:
Base-Base interactions energy: -150.830
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.122
local terms energy: -69.395419
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -215.669859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.669859 (E_RNA)
where:
Base-Base interactions energy: -139.445
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.126
local terms energy: -76.098118
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -192.857150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.857150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.857150 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.048
local terms energy: -63.776538
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -12.778
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: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -183.216063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216063 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -54.543
Base-Backbone interact. energy: 1.260
local terms energy: -62.958552
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -158.460372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.460372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.460372 (E_RNA)
where:
Base-Base interactions energy: -98.620
where: short stacking energy: -50.185
Base-Backbone interact. energy: 0.334
local terms energy: -60.174378
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.061548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061548 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.072
local terms energy: -50.827180
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -3.027
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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -83.192386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192386 (E_RNA)
where:
Base-Base interactions energy: -35.145
where: short stacking energy: -35.145
Base-Backbone interact. energy: -0.004
local terms energy: -48.043399
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -139.769476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.769476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.769476 (E_RNA)
where:
Base-Base interactions energy: -88.049
where: short stacking energy: -39.418
Base-Backbone interact. energy: -0.427
local terms energy: -51.293258
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -6.164
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: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -236.306089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.306089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.306089 (E_RNA)
where:
Base-Base interactions energy: -153.523
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.008
local terms energy: -82.774611
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -227.824506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824506 (E_RNA)
where:
Base-Base interactions energy: -157.434
where: short stacking energy: -69.422
Base-Backbone interact. energy: -0.002
local terms energy: -70.389037
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -215.446973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.446973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.446973 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.246
local terms energy: -66.161073
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -13.240
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: 93
Temperature: 1.050000
Total energy: -226.350314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.350314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.350314 (E_RNA)
where:
Base-Base interactions energy: -154.035
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.002
local terms energy: -72.313670
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -209.416473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416473 (E_RNA)
where:
Base-Base interactions energy: -136.687
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.042
local terms energy: -72.687515
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -153.008153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.008153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.008153 (E_RNA)
where:
Base-Base interactions energy: -89.777
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.373
local terms energy: -62.858160
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -10.595
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: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -143.877252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.877252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.877252 (E_RNA)
where:
Base-Base interactions energy: -90.036
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.506
local terms energy: -53.334777
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -87.446077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.446077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.446077 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -20.548
Base-Backbone interact. energy: 0.494
local terms energy: -49.866151
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -77.718850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.718850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.718850 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -24.098
Base-Backbone interact. energy: -0.240
local terms energy: -43.727241
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -132.292745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.292745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.292745 (E_RNA)
where:
Base-Base interactions energy: -80.002
where: short stacking energy: -37.644
Base-Backbone interact. energy: -0.526
local terms energy: -51.765018
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -235.241287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.241287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.241287 (E_RNA)
where:
Base-Base interactions energy: -159.396
where: short stacking energy: -66.380
Base-Backbone interact. energy: 0.486
local terms energy: -76.330736
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -229.317969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.317969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.317969 (E_RNA)
where:
Base-Base interactions energy: -150.024
where: short stacking energy: -71.890
Base-Backbone interact. energy: -1.298
local terms energy: -77.996199
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -230.356790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.356790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.356790 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.008
local terms energy: -80.344459
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -20.233
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: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -198.897729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.897729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.897729 (E_RNA)
where:
Base-Base interactions energy: -132.668
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.200
local terms energy: -66.028915
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -206.742414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.742414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.742414 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.610
local terms energy: -65.925961
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -20.331
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: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -150.222429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.222429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.222429 (E_RNA)
where:
Base-Base interactions energy: -94.080
where: short stacking energy: -45.408
Base-Backbone interact. energy: 0.132
local terms energy: -56.274703
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -9.289
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: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -140.064764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.064764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.064764 (E_RNA)
where:
Base-Base interactions energy: -86.069
where: short stacking energy: -44.040
Base-Backbone interact. energy: 0.402
local terms energy: -54.397326
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -6.431
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: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -86.935258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935258 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.138
local terms energy: -53.125952
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -5.957
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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -139.921435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.921435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.921435 (E_RNA)
where:
Base-Base interactions energy: -80.958
where: short stacking energy: -36.075
Base-Backbone interact. energy: -2.237
local terms energy: -56.726539
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -78.427276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.427276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.427276 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.597
local terms energy: -44.726173
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -3.539
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: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -240.349411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.349411 (E_RNA)
where:
Base-Base interactions energy: -161.919
where: short stacking energy: -71.728
Base-Backbone interact. energy: 0.101
local terms energy: -78.531898
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -224.465598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.465598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.465598 (E_RNA)
where:
Base-Base interactions energy: -146.536
where: short stacking energy: -65.451
Base-Backbone interact. energy: -2.168
local terms energy: -75.762074
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -221.206370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.206370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.206370 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.126
local terms energy: -75.348899
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -17.765
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: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -206.179302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.179302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.179302 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.470
local terms energy: -63.882590
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -205.651706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.651706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.651706 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -67.126
Base-Backbone interact. energy: -2.158
local terms energy: -67.675800
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.527
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -157.264551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.264551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.264551 (E_RNA)
where:
Base-Base interactions energy: -92.949
where: short stacking energy: -48.866
Base-Backbone interact. energy: -0.564
local terms energy: -63.751546
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -143.912345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.912345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.912345 (E_RNA)
where:
Base-Base interactions energy: -83.750
where: short stacking energy: -39.023
Base-Backbone interact. energy: -0.064
local terms energy: -60.099107
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -131.370033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.370033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.370033 (E_RNA)
where:
Base-Base interactions energy: -80.814
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.101
local terms energy: -50.455222
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.455895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.455895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.455895 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -32.612
Base-Backbone interact. energy: -0.075
local terms energy: -47.768679
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -9.055
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: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -75.423099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423099 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.025
local terms energy: -43.478024
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -230.897243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.897243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.897243 (E_RNA)
where:
Base-Base interactions energy: -155.088
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.013
local terms energy: -75.796221
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -19.304
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: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -232.334734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.334734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.334734 (E_RNA)
where:
Base-Base interactions energy: -157.094
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.000
local terms energy: -75.240505
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -219.667757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667757 (E_RNA)
where:
Base-Base interactions energy: -145.976
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.043
local terms energy: -73.649093
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -8.710
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -14.212
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: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -224.815618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.815618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815618 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.029
local terms energy: -77.533580
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -156.111147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.111147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.111147 (E_RNA)
where:
Base-Base interactions energy: -103.746
where: short stacking energy: -44.401
Base-Backbone interact. energy: -0.306
local terms energy: -52.058772
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -198.786157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.786157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.786157 (E_RNA)
where:
Base-Base interactions energy: -130.475
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.621
local terms energy: -67.690258
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -16.385
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: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -144.442964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.442964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.442964 (E_RNA)
where:
Base-Base interactions energy: -88.277
where: short stacking energy: -45.297
Base-Backbone interact. energy: 1.650
local terms energy: -57.816118
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -141.822944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.822944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.822944 (E_RNA)
where:
Base-Base interactions energy: -88.405
where: short stacking energy: -43.362
Base-Backbone interact. energy: -1.239
local terms energy: -52.178579
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -7.468
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: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -83.791326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791326 (E_RNA)
where:
Base-Base interactions energy: -27.419
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.104
local terms energy: -56.268335
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -69.185524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.185524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.185524 (E_RNA)
where:
Base-Base interactions energy: -26.044
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.710
local terms energy: -42.431115
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: 2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -236.518986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.518986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.518986 (E_RNA)
where:
Base-Base interactions energy: -156.061
where: short stacking energy: -73.752
Base-Backbone interact. energy: -1.280
local terms energy: -79.177480
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -13.229
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: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -223.231499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231499 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.104
local terms energy: -76.671102
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -18.201
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -212.520307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520307 (E_RNA)
where:
Base-Base interactions energy: -140.389
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.100
local terms energy: -72.031107
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -16.922
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -222.742791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.742791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.742791 (E_RNA)
where:
Base-Base interactions energy: -152.440
where: short stacking energy: -65.983
Base-Backbone interact. energy: 0.254
local terms energy: -70.556960
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.368
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: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -157.543522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.543522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.543522 (E_RNA)
where:
Base-Base interactions energy: -104.911
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.206
local terms energy: -52.427078
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -193.083919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.083919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.083919 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.004
local terms energy: -61.387037
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -4.190
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: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -137.876752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.876752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.876752 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -38.969
Base-Backbone interact. energy: -1.264
local terms energy: -57.592836
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -8.503
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: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -140.482173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.482173 (E_RNA)
where:
Base-Base interactions energy: -77.913
where: short stacking energy: -31.672
Base-Backbone interact. energy: -1.107
local terms energy: -61.461691
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -84.827488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827488 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.198
local terms energy: -51.709460
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.612769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.612769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.612769 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.020
local terms energy: -49.570806
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -230.907769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.907769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.907769 (E_RNA)
where:
Base-Base interactions energy: -157.958
where: short stacking energy: -64.181
Base-Backbone interact. energy: -0.531
local terms energy: -72.418376
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -17.220
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: 98
Temperature: 0.950000
Total energy: -231.079686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.079686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.079686 (E_RNA)
where:
Base-Base interactions energy: -153.965
where: short stacking energy: -69.502
Base-Backbone interact. energy: -2.168
local terms energy: -74.946795
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -10.248
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -217.376866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376866 (E_RNA)
where:
Base-Base interactions energy: -150.238
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.257
local terms energy: -66.881267
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -216.827756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.827756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.827756 (E_RNA)
where:
Base-Base interactions energy: -143.392
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.086
local terms energy: -73.349912
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -200.494763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.494763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.494763 (E_RNA)
where:
Base-Base interactions energy: -128.867
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.016
local terms energy: -71.611956
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -11.043
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: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -144.891688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.891688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.891688 (E_RNA)
where:
Base-Base interactions energy: -84.788
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.178
local terms energy: -59.925845
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -149.979072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.979072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.979072 (E_RNA)
where:
Base-Base interactions energy: -92.675
where: short stacking energy: -47.371
Base-Backbone interact. energy: 0.133
local terms energy: -57.436822
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -163.643533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.643533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.643533 (E_RNA)
where:
Base-Base interactions energy: -102.206
where: short stacking energy: -53.817
Base-Backbone interact. energy: -3.450
local terms energy: -57.988443
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -16.232
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: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.020091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020091 (E_RNA)
where:
Base-Base interactions energy: -22.893
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.018
local terms energy: -55.109004
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -82.115393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.115393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.115393 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -16.447
Base-Backbone interact. energy: -0.188
local terms energy: -45.580933
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -223.140621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.140621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.140621 (E_RNA)
where:
Base-Base interactions energy: -144.445
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.053
local terms energy: -78.642248
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -14.082
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: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -226.175973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.175973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.175973 (E_RNA)
where:
Base-Base interactions energy: -155.737
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.017
local terms energy: -70.422200
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -225.388765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.388765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.388765 (E_RNA)
where:
Base-Base interactions energy: -146.886
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.675
local terms energy: -77.827910
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.468
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: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -220.543642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543642 (E_RNA)
where:
Base-Base interactions energy: -148.832
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.084
local terms energy: -71.627831
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -23.224
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -202.464175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.464175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.464175 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -51.326
Base-Backbone interact. energy: -0.143
local terms energy: -66.829487
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.335
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: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -171.965684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.965684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.965684 (E_RNA)
where:
Base-Base interactions energy: -107.739
where: short stacking energy: -47.230
Base-Backbone interact. energy: -0.663
local terms energy: -63.564602
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -202.125225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.125225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125225 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -61.562
Base-Backbone interact. energy: -0.050
local terms energy: -74.191319
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.812
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -156.431687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.431687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.431687 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.181
local terms energy: -60.953113
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -12.405
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: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -86.121243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121243 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.092
local terms energy: -53.850069
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -3.966
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: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -81.485965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485965 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -18.428
Base-Backbone interact. energy: -0.494
local terms energy: -46.687603
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -234.632760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.632760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.632760 (E_RNA)
where:
Base-Base interactions energy: -159.728
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.070
local terms energy: -74.834610
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -229.525363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.525363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525363 (E_RNA)
where:
Base-Base interactions energy: -153.246
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.124
local terms energy: -76.155407
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -232.162374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.162374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.162374 (E_RNA)
where:
Base-Base interactions energy: -159.428
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.847
local terms energy: -71.886995
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -10.881
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -216.354971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354971 (E_RNA)
where:
Base-Base interactions energy: -150.185
where: short stacking energy: -64.813
Base-Backbone interact. energy: 0.171
local terms energy: -66.341169
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -207.801285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.801285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.801285 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.168
local terms energy: -70.738120
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -166.892245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.892245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.892245 (E_RNA)
where:
Base-Base interactions energy: -100.599
where: short stacking energy: -51.313
Base-Backbone interact. energy: -0.204
local terms energy: -66.089574
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -208.571036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.571036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.571036 (E_RNA)
where:
Base-Base interactions energy: -136.467
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.074
local terms energy: -72.030725
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -19.085
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -138.974722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.974722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.974722 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -41.940
Base-Backbone interact. energy: -0.046
local terms energy: -44.893556
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -78.688935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.688935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.688935 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.197
local terms energy: -47.235716
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -75.305690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.305690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.305690 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.235
local terms energy: -50.399853
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: 0.966
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: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -225.817093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.817093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.817093 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.003
local terms energy: -73.623585
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.423
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: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -229.384017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.384017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.384017 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -72.543
Base-Backbone interact. energy: -0.003
local terms energy: -74.126880
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -22.927
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: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -235.725367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.725367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.725367 (E_RNA)
where:
Base-Base interactions energy: -159.733
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.580
local terms energy: -75.412320
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.091
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: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -212.675804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.675804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.675804 (E_RNA)
where:
Base-Base interactions energy: -138.531
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.049
local terms energy: -74.095431
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -196.827112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827112 (E_RNA)
where:
Base-Base interactions energy: -134.149
where: short stacking energy: -58.338
Base-Backbone interact. energy: 0.412
local terms energy: -63.090055
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -16.932
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -207.596451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.596451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.596451 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.053
local terms energy: -68.529652
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -17.589
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: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -154.510770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.510770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.510770 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -47.851
Base-Backbone interact. energy: -0.713
local terms energy: -62.125935
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -12.862
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: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -146.364329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.364329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.364329 (E_RNA)
where:
Base-Base interactions energy: -101.502
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.286
local terms energy: -44.576515
where:
bonds (distance) C4'-P energy: -3.381
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.255
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: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -82.854965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854965 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.137
local terms energy: -52.433582
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -73.247142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.247142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.247142 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.235
local terms energy: -44.937268
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -235.273326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.273326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.273326 (E_RNA)
where:
Base-Base interactions energy: -162.534
where: short stacking energy: -75.540
Base-Backbone interact. energy: -0.020
local terms energy: -72.718692
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -228.315587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.315587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.315587 (E_RNA)
where:
Base-Base interactions energy: -152.814
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.007
local terms energy: -75.494241
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -220.123137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.123137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.123137 (E_RNA)
where:
Base-Base interactions energy: -146.067
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.167
local terms energy: -73.889015
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.103
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: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -217.595704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.595704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.595704 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -59.757
Base-Backbone interact. energy: 0.017
local terms energy: -72.983657
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -204.848629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.848629 (E_RNA)
where:
Base-Base interactions energy: -130.964
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.042
local terms energy: -73.842548
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -18.697
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -199.397572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.397572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.397572 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -57.481
Base-Backbone interact. energy: 0.098
local terms energy: -66.215979
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -163.184982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.184982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.184982 (E_RNA)
where:
Base-Base interactions energy: -99.013
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.352
local terms energy: -63.819765
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -148.623962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.623962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.623962 (E_RNA)
where:
Base-Base interactions energy: -92.573
where: short stacking energy: -49.094
Base-Backbone interact. energy: -0.040
local terms energy: -56.010866
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -76.565495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.565495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.565495 (E_RNA)
where:
Base-Base interactions energy: -26.116
where: short stacking energy: -25.972
Base-Backbone interact. energy: 0.742
local terms energy: -51.191505
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: 0.602
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -74.477207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.477207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.477207 (E_RNA)
where:
Base-Base interactions energy: -26.304
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.128
local terms energy: -48.044736
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -234.300002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.300002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.300002 (E_RNA)
where:
Base-Base interactions energy: -159.547
where: short stacking energy: -75.546
Base-Backbone interact. energy: -0.029
local terms energy: -74.724049
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.275
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: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -241.297902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.297902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.297902 (E_RNA)
where:
Base-Base interactions energy: -161.209
where: short stacking energy: -71.673
Base-Backbone interact. energy: -1.495
local terms energy: -78.593953
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.492
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: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -212.561541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.561541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561541 (E_RNA)
where:
Base-Base interactions energy: -133.927
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.100
local terms energy: -78.534499
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -216.443129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.443129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.443129 (E_RNA)
where:
Base-Base interactions energy: -154.259
where: short stacking energy: -58.986
Base-Backbone interact. energy: 0.117
local terms energy: -62.301221
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -214.620308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.620308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620308 (E_RNA)
where:
Base-Base interactions energy: -140.198
where: short stacking energy: -61.020
Base-Backbone interact. energy: 0.750
local terms energy: -75.172608
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -208.390241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.390241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.390241 (E_RNA)
where:
Base-Base interactions energy: -142.504
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.001
local terms energy: -65.884812
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -20.933
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -156.781940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.781940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.781940 (E_RNA)
where:
Base-Base interactions energy: -95.066
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.331
local terms energy: -61.384496
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.839
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -139.978082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.978082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.978082 (E_RNA)
where:
Base-Base interactions energy: -76.974
where: short stacking energy: -39.669
Base-Backbone interact. energy: 0.436
local terms energy: -63.439600
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -8.134
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -78.082644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.082644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.082644 (E_RNA)
where:
Base-Base interactions energy: -26.584
where: short stacking energy: -26.584
Base-Backbone interact. energy: -0.129
local terms energy: -51.368967
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -72.178866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.178866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.178866 (E_RNA)
where:
Base-Base interactions energy: -26.104
where: short stacking energy: -22.750
Base-Backbone interact. energy: 0.290
local terms energy: -46.365194
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -0.745
tors. eta vs tors. theta energy: -5.264
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: 104
Temperature: 0.900000
Total energy: -246.012787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.012787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.012787 (E_RNA)
where:
Base-Base interactions energy: -161.804
where: short stacking energy: -79.021
Base-Backbone interact. energy: -0.157
local terms energy: -84.051086
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -23.994
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -223.039074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.039074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.039074 (E_RNA)
where:
Base-Base interactions energy: -144.601
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.002
local terms energy: -78.435765
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -21.493
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: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -220.839857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.839857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.839857 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.070
local terms energy: -71.945745
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -217.999001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.999001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.999001 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -62.750
Base-Backbone interact. energy: -0.004
local terms energy: -67.776387
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -205.435068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435068 (E_RNA)
where:
Base-Base interactions energy: -135.147
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.833
local terms energy: -69.454801
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.704
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: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -193.017089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.017089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.017089 (E_RNA)
where:
Base-Base interactions energy: -129.195
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.097
local terms energy: -63.725804
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -196.769616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.769616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.769616 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.784
local terms energy: -68.771586
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -152.843268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.843268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.843268 (E_RNA)
where:
Base-Base interactions energy: -89.857
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.140
local terms energy: -62.846386
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -83.895642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.895642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.895642 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.019
local terms energy: -50.531592
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: -2.999
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: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -94.270236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270236 (E_RNA)
where:
Base-Base interactions energy: -47.785
where: short stacking energy: -35.650
Base-Backbone interact. energy: -0.672
local terms energy: -45.812846
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.174
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: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -236.134526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.134526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.134526 (E_RNA)
where:
Base-Base interactions energy: -154.131
where: short stacking energy: -67.361
Base-Backbone interact. energy: -1.045
local terms energy: -80.959075
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -22.421
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: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -236.072866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.072866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.072866 (E_RNA)
where:
Base-Base interactions energy: -158.236
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.012
local terms energy: -77.824473
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -217.813981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.813981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.813981 (E_RNA)
where:
Base-Base interactions energy: -145.082
where: short stacking energy: -70.951
Base-Backbone interact. energy: -1.875
local terms energy: -70.857197
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -5.154
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: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -230.687937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.687937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.687937 (E_RNA)
where:
Base-Base interactions energy: -156.308
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.413
local terms energy: -73.966941
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -208.279783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.279783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279783 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.576
local terms energy: -71.164436
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.347
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: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -193.456567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.456567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.456567 (E_RNA)
where:
Base-Base interactions energy: -132.665
where: short stacking energy: -57.561
Base-Backbone interact. energy: 0.554
local terms energy: -61.345986
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -197.430827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.430827 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -53.571
Base-Backbone interact. energy: -0.054
local terms energy: -63.115349
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -5.024
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: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -197.340403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.340403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.340403 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.106
local terms energy: -73.837972
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -13.838
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -82.573784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573784 (E_RNA)
where:
Base-Base interactions energy: -28.798
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.106
local terms energy: -53.669350
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -6.398
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: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -84.372097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372097 (E_RNA)
where:
Base-Base interactions energy: -29.802
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.033
local terms energy: -54.537826
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.255
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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -232.577861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.577861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.577861 (E_RNA)
where:
Base-Base interactions energy: -148.989
where: short stacking energy: -68.554
Base-Backbone interact. energy: -0.690
local terms energy: -82.898876
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -13.265
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: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -222.662922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662922 (E_RNA)
where:
Base-Base interactions energy: -152.700
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.169
local terms energy: -69.794508
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -18.933
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: 106
Temperature: 1.000000
Total energy: -224.155078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.155078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.155078 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.002
local terms energy: -75.145245
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -19.951
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: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -227.015286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.015286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.015286 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -73.119
Base-Backbone interact. energy: -0.003
local terms energy: -71.646282
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -21.059
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -209.258212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.258212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.258212 (E_RNA)
where:
Base-Base interactions energy: -138.719
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.012
local terms energy: -70.527594
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -17.480
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: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -204.646412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.646412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.646412 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.250
local terms energy: -64.138087
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -197.485514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.485514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.485514 (E_RNA)
where:
Base-Base interactions energy: -122.539
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.000
local terms energy: -74.946278
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -163.673731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.673731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.673731 (E_RNA)
where:
Base-Base interactions energy: -112.012
where: short stacking energy: -48.504
Base-Backbone interact. energy: -0.100
local terms energy: -51.561532
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -9.120
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: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -75.387937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.387937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.387937 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -18.299
Base-Backbone interact. energy: -0.198
local terms energy: -48.877038
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: 2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -75.046651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.046651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.046651 (E_RNA)
where:
Base-Base interactions energy: -22.662
where: short stacking energy: -20.287
Base-Backbone interact. energy: -0.112
local terms energy: -52.272433
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -229.768073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.768073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.768073 (E_RNA)
where:
Base-Base interactions energy: -151.411
where: short stacking energy: -66.002
Base-Backbone interact. energy: -0.133
local terms energy: -78.223771
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -229.030466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.030466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.030466 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.648
local terms energy: -81.391263
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -10.843
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: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -215.165043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165043 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -60.821
Base-Backbone interact. energy: 0.113
local terms energy: -73.139093
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.909
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: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -226.636624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.636624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.636624 (E_RNA)
where:
Base-Base interactions energy: -150.302
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.033
local terms energy: -76.301327
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -22.209
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -211.407008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.407008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.407008 (E_RNA)
where:
Base-Base interactions energy: -143.979
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.762
local terms energy: -66.666446
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -199.780056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.780056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.780056 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -64.859
Base-Backbone interact. energy: 0.495
local terms energy: -65.695957
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -4.699
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -204.760231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.760231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.760231 (E_RNA)
where:
Base-Base interactions energy: -141.423
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.079
local terms energy: -63.258110
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -137.901334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.901334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.901334 (E_RNA)
where:
Base-Base interactions energy: -78.756
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.390
local terms energy: -58.755355
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -77.467752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467752 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -28.667
Base-Backbone interact. energy: 0.233
local terms energy: -49.017109
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -7.772
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -80.243572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243572 (E_RNA)
where:
Base-Base interactions energy: -28.581
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.159
local terms energy: -51.503274
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -2.795
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: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -238.301291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.301291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.301291 (E_RNA)
where:
Base-Base interactions energy: -158.530
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.064
local terms energy: -79.706823
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -220.867231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.867231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.867231 (E_RNA)
where:
Base-Base interactions energy: -140.675
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.003
local terms energy: -80.190119
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -216.374330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374330 (E_RNA)
where:
Base-Base interactions energy: -143.902
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.754
local terms energy: -71.718172
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -6.426
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: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -207.345325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345325 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.020
local terms energy: -68.781827
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -211.462906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.462906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.462906 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -70.562
Base-Backbone interact. energy: -0.033
local terms energy: -70.080880
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -198.407706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407706 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.034
local terms energy: -71.477286
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -198.234294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234294 (E_RNA)
where:
Base-Base interactions energy: -127.750
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.100
local terms energy: -70.384783
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.149
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: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -155.499487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.499487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.499487 (E_RNA)
where:
Base-Base interactions energy: -94.721
where: short stacking energy: -44.505
Base-Backbone interact. energy: -0.430
local terms energy: -60.347620
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -12.545
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.419471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.419471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.419471 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -20.121
Base-Backbone interact. energy: 1.065
local terms energy: -50.393706
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -75.654741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654741 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -24.649
Base-Backbone interact. energy: -0.125
local terms energy: -45.063764
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.572
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: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -221.072230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.072230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.072230 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.011
local terms energy: -74.610896
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -231.045983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.045983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.045983 (E_RNA)
where:
Base-Base interactions energy: -154.285
where: short stacking energy: -71.554
Base-Backbone interact. energy: -0.008
local terms energy: -76.752579
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -212.992035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.992035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.992035 (E_RNA)
where:
Base-Base interactions energy: -148.782
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.420
local terms energy: -63.790572
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -209.661939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.661939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.661939 (E_RNA)
where:
Base-Base interactions energy: -139.975
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.080
local terms energy: -69.606435
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -12.463
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -211.070189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.070189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.070189 (E_RNA)
where:
Base-Base interactions energy: -138.748
where: short stacking energy: -71.799
Base-Backbone interact. energy: 0.075
local terms energy: -72.396549
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.826
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: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -201.793459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793459 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -55.807
Base-Backbone interact. energy: -1.224
local terms energy: -69.243663
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -16.358
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -198.333016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.333016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.333016 (E_RNA)
where:
Base-Base interactions energy: -141.550
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.189
local terms energy: -56.593555
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -140.776686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.776686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.776686 (E_RNA)
where:
Base-Base interactions energy: -79.944
where: short stacking energy: -37.498
Base-Backbone interact. energy: -2.207
local terms energy: -58.626305
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -80.576744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.576744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.576744 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.394
local terms energy: -44.882744
where:
bonds (distance) C4'-P energy: -5.756
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -6.247
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: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -83.596547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596547 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -34.914
Base-Backbone interact. energy: -0.043
local terms energy: -44.786766
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -240.007483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.007483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.007483 (E_RNA)
where:
Base-Base interactions energy: -171.240
where: short stacking energy: -75.985
Base-Backbone interact. energy: -0.008
local terms energy: -68.759748
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.091
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: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -213.165808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165808 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -58.942
Base-Backbone interact. energy: 0.225
local terms energy: -64.249393
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -9.771
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: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -212.509130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.509130 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.022
local terms energy: -72.695526
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -220.244278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.244278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.244278 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.241
local terms energy: -71.507632
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -9.202
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: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -205.501647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.501647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.501647 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.532
local terms energy: -72.098728
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -196.854062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.854062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.854062 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.138
local terms energy: -67.993692
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.645
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -201.216937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.216937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.216937 (E_RNA)
where:
Base-Base interactions energy: -138.763
where: short stacking energy: -60.052
Base-Backbone interact. energy: 0.044
local terms energy: -62.497635
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.178
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: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -142.506388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.506388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.506388 (E_RNA)
where:
Base-Base interactions energy: -78.924
where: short stacking energy: -39.613
Base-Backbone interact. energy: 0.184
local terms energy: -63.766683
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -81.180578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.180578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.180578 (E_RNA)
where:
Base-Base interactions energy: -26.255
where: short stacking energy: -22.861
Base-Backbone interact. energy: 0.165
local terms energy: -55.090710
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -0.504
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: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -71.567680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.567680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.567680 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -18.279
Base-Backbone interact. energy: -0.931
local terms energy: -23.462660
where:
bonds (distance) C4'-P energy: -5.066
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -1.463
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -234.519283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.519283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.519283 (E_RNA)
where:
Base-Base interactions energy: -158.119
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.115
local terms energy: -76.285382
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -212.279356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279356 (E_RNA)
where:
Base-Base interactions energy: -138.823
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.035
local terms energy: -73.421021
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -19.030
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -214.160478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160478 (E_RNA)
where:
Base-Base interactions energy: -146.894
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.092
local terms energy: -67.357996
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -211.777341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.777341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.777341 (E_RNA)
where:
Base-Base interactions energy: -140.980
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.513
local terms energy: -70.284363
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.645
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: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -212.459267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.459267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459267 (E_RNA)
where:
Base-Base interactions energy: -143.475
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.035
local terms energy: -68.949087
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -196.878196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.878196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.878196 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -54.101
Base-Backbone interact. energy: -0.196
local terms energy: -69.827467
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -198.705588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.705588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.705588 (E_RNA)
where:
Base-Base interactions energy: -131.122
where: short stacking energy: -59.189
Base-Backbone interact. energy: 0.287
local terms energy: -67.870419
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.474
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: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -141.795801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.795801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.795801 (E_RNA)
where:
Base-Base interactions energy: -84.177
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.177
local terms energy: -57.441520
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -9.016
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: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -76.090930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.090930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.090930 (E_RNA)
where:
Base-Base interactions energy: -28.745
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.136
local terms energy: -47.209716
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -6.332
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: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -85.272690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272690 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -28.375
Base-Backbone interact. energy: -0.191
local terms energy: -51.182616
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -227.501932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.501932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.501932 (E_RNA)
where:
Base-Base interactions energy: -162.874
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.491
local terms energy: -64.136728
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -231.433424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.433424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.433424 (E_RNA)
where:
Base-Base interactions energy: -161.791
where: short stacking energy: -70.239
Base-Backbone interact. energy: -0.001
local terms energy: -69.641796
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -21.803
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -211.988383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.988383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.988383 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.036
local terms energy: -76.486205
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -220.878509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.878509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.878509 (E_RNA)
where:
Base-Base interactions energy: -149.586
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.060
local terms energy: -71.233275
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -218.949821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.949821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.949821 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.966
local terms energy: -72.192086
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -191.206932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.206932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.206932 (E_RNA)
where:
Base-Base interactions energy: -127.009
where: short stacking energy: -61.925
Base-Backbone interact. energy: -0.491
local terms energy: -63.707691
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.448
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: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -196.677353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.677353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.677353 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -54.624
Base-Backbone interact. energy: -1.669
local terms energy: -55.797673
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -11.423
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: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -151.659429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.659429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.659429 (E_RNA)
where:
Base-Base interactions energy: -89.577
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.277
local terms energy: -61.805637
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -10.026
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: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -74.891208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.891208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.891208 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.160
local terms energy: -49.266681
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: 0.936
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: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -82.850162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.850162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.850162 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.354
local terms energy: -51.760021
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -2.372
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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -229.821282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.821282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.821282 (E_RNA)
where:
Base-Base interactions energy: -155.502
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.169
local terms energy: -74.150129
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -17.241
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: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -218.127912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.127912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.127912 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -68.544
Base-Backbone interact. energy: -1.205
local terms energy: -65.998786
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -6.852
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -211.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.881665 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.610
local terms energy: -71.488122
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.550
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: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -206.312798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.312798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.312798 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -55.790
Base-Backbone interact. energy: -0.091
local terms energy: -68.230470
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -206.807725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.807725 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.100
local terms energy: -67.742446
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -17.614
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: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -200.209535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.209535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.209535 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -55.728
Base-Backbone interact. energy: -2.362
local terms energy: -67.439676
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -197.355333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.355333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.355333 (E_RNA)
where:
Base-Base interactions energy: -126.578
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.046
local terms energy: -70.731773
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -81.889331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.889331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.889331 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -24.515
Base-Backbone interact. energy: 0.535
local terms energy: -54.362351
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -170.451093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.451093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.451093 (E_RNA)
where:
Base-Base interactions energy: -107.968
where: short stacking energy: -44.751
Base-Backbone interact. energy: -0.062
local terms energy: -62.420995
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -7.634
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: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -86.199522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199522 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.875
local terms energy: -52.371336
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -225.863983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.863983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.863983 (E_RNA)
where:
Base-Base interactions energy: -146.903
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.115
local terms energy: -78.845825
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -223.392274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.392274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.392274 (E_RNA)
where:
Base-Base interactions energy: -148.076
where: short stacking energy: -56.135
Base-Backbone interact. energy: -0.060
local terms energy: -75.256083
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -218.702650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.702650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.702650 (E_RNA)
where:
Base-Base interactions energy: -146.149
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.093
local terms energy: -72.460609
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -223.676425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.676425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.676425 (E_RNA)
where:
Base-Base interactions energy: -148.442
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.009
local terms energy: -75.225014
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.522
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -207.851881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.851881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.851881 (E_RNA)
where:
Base-Base interactions energy: -132.339
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.057
local terms energy: -75.455519
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.220
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: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -203.697487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.697487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.697487 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -66.466
Base-Backbone interact. energy: 1.250
local terms energy: -68.241353
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -183.182891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.182891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.182891 (E_RNA)
where:
Base-Base interactions energy: -113.827
where: short stacking energy: -50.516
Base-Backbone interact. energy: -0.064
local terms energy: -69.292134
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -13.672
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -87.196281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196281 (E_RNA)
where:
Base-Base interactions energy: -37.403
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.028
local terms energy: -49.765256
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -146.224562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.224562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.224562 (E_RNA)
where:
Base-Base interactions energy: -89.635
where: short stacking energy: -47.467
Base-Backbone interact. energy: 0.133
local terms energy: -56.722546
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -10.369
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: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -81.162638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.162638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.162638 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -26.192
Base-Backbone interact. energy: 0.627
local terms energy: -50.865178
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -2.440
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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -231.046234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.046234 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -66.798
Base-Backbone interact. energy: -2.054
local terms energy: -74.753645
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -21.965
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: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -234.337294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.337294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.337294 (E_RNA)
where:
Base-Base interactions energy: -158.864
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.004
local terms energy: -75.469040
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -227.195457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.195457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.195457 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.160
local terms energy: -75.666097
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -223.539860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.539860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.539860 (E_RNA)
where:
Base-Base interactions energy: -148.761
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.003
local terms energy: -74.776058
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -201.223479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.223479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.223479 (E_RNA)
where:
Base-Base interactions energy: -139.302
where: short stacking energy: -59.568
Base-Backbone interact. energy: 2.201
local terms energy: -64.122058
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -190.945813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.945813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.945813 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.146
local terms energy: -62.319362
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -16.122
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: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -195.532445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.532445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.532445 (E_RNA)
where:
Base-Base interactions energy: -135.024
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.132
local terms energy: -60.375937
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -16.155
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: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -172.546847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.546847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.546847 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -48.765
Base-Backbone interact. energy: -0.110
local terms energy: -55.649689
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -85.120426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.120426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.120426 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -31.385
Base-Backbone interact. energy: -0.163
local terms energy: -50.554562
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -81.123004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.123004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.123004 (E_RNA)
where:
Base-Base interactions energy: -35.123
where: short stacking energy: -34.249
Base-Backbone interact. energy: 2.918
local terms energy: -48.918258
where:
bonds (distance) C4'-P energy: -5.337
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -233.166099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.166099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.166099 (E_RNA)
where:
Base-Base interactions energy: -147.681
where: short stacking energy: -72.330
Base-Backbone interact. energy: -2.429
local terms energy: -83.057028
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -14.503
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -219.826006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.826006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826006 (E_RNA)
where:
Base-Base interactions energy: -142.038
where: short stacking energy: -69.120
Base-Backbone interact. energy: -1.027
local terms energy: -76.761732
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.701
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: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -219.520391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.520391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.520391 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.430
local terms energy: -70.238399
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -13.669
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: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -214.247131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.247131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.247131 (E_RNA)
where:
Base-Base interactions energy: -145.208
where: short stacking energy: -71.051
Base-Backbone interact. energy: -0.051
local terms energy: -68.987729
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -203.961523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.961523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961523 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -60.029
Base-Backbone interact. energy: -0.092
local terms energy: -73.215697
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.853
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: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -205.299786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299786 (E_RNA)
where:
Base-Base interactions energy: -129.840
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.021
local terms energy: -75.438894
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -17.093
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: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -199.038959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.038959 (E_RNA)
where:
Base-Base interactions energy: -124.958
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.915
local terms energy: -73.165324
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -184.879646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.879646 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.323
local terms energy: -60.832871
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -12.825
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: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -74.129565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.129565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.129565 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.060
local terms energy: -44.193049
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -6.524
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -78.825146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825146 (E_RNA)
where:
Base-Base interactions energy: -31.185
where: short stacking energy: -25.574
Base-Backbone interact. energy: 1.470
local terms energy: -49.109188
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -7.234
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -243.824472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.824472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.824472 (E_RNA)
where:
Base-Base interactions energy: -163.232
where: short stacking energy: -71.368
Base-Backbone interact. energy: -4.017
local terms energy: -76.575331
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -21.141
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: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -234.615306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615306 (E_RNA)
where:
Base-Base interactions energy: -154.043
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.175
local terms energy: -80.396953
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -212.883882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.883882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.883882 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.104
local terms energy: -70.708643
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.638
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -222.198418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.198418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198418 (E_RNA)
where:
Base-Base interactions energy: -147.433
where: short stacking energy: -65.583
Base-Backbone interact. energy: -0.002
local terms energy: -74.763147
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -204.760074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.760074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.760074 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -62.055
Base-Backbone interact. energy: 0.530
local terms energy: -71.330585
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -194.115691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.115691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115691 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.084
local terms energy: -73.271110
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -191.620998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.620998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.620998 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.005
local terms energy: -65.426649
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -7.064
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -192.036572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.036572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.036572 (E_RNA)
where:
Base-Base interactions energy: -126.476
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.038
local terms energy: -65.522503
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -13.992
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -80.761106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.761106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.761106 (E_RNA)
where:
Base-Base interactions energy: -36.461
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.072
local terms energy: -44.228116
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -88.083208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.083208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.083208 (E_RNA)
where:
Base-Base interactions energy: -31.593
where: short stacking energy: -31.202
Base-Backbone interact. energy: -0.146
local terms energy: -56.343984
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -227.799454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.799454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799454 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.001
local terms energy: -75.511727
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -20.550
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: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -231.264596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.264596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.264596 (E_RNA)
where:
Base-Base interactions energy: -153.340
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.001
local terms energy: -77.923526
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.736
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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -231.455932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.455932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.455932 (E_RNA)
where:
Base-Base interactions energy: -161.971
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.055
local terms energy: -69.430116
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -225.563555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.563555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.563555 (E_RNA)
where:
Base-Base interactions energy: -148.148
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.018
local terms energy: -77.397437
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -206.727858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.727858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.727858 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.020
local terms energy: -70.965507
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -199.867593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867593 (E_RNA)
where:
Base-Base interactions energy: -130.274
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.487
local terms energy: -69.106675
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -14.431
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: 118
Temperature: 1.200000
Total energy: -199.535265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.535265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.535265 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -57.011
Base-Backbone interact. energy: -0.004
local terms energy: -68.333563
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -162.514832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.514832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.514832 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -47.020
Base-Backbone interact. energy: -0.046
local terms energy: -71.280958
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -14.082
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: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -74.994647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.994647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.994647 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -21.232
Base-Backbone interact. energy: -0.916
local terms energy: -43.221849
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -81.297772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.297772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.297772 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.368
local terms energy: -39.896433
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -5.926
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -231.054645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.054645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.054645 (E_RNA)
where:
Base-Base interactions energy: -157.352
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.006
local terms energy: -73.696221
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -221.127854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.127854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.127854 (E_RNA)
where:
Base-Base interactions energy: -149.581
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.037
local terms energy: -71.510412
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -213.925867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.925867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.925867 (E_RNA)
where:
Base-Base interactions energy: -139.481
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.290
local terms energy: -74.155128
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -201.783020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.783020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.783020 (E_RNA)
where:
Base-Base interactions energy: -130.397
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.098
local terms energy: -71.288894
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -207.699396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.699396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.699396 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -60.499
Base-Backbone interact. energy: 5.774
local terms energy: -72.486847
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -15.882
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -197.413149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.413149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.413149 (E_RNA)
where:
Base-Base interactions energy: -134.593
where: short stacking energy: -57.919
Base-Backbone interact. energy: -0.832
local terms energy: -61.987924
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -188.240050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.240050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.240050 (E_RNA)
where:
Base-Base interactions energy: -130.468
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.040
local terms energy: -57.731906
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -195.728277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.728277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728277 (E_RNA)
where:
Base-Base interactions energy: -132.975
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.138
local terms energy: -62.615985
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -14.518
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: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -91.019320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019320 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -38.494
Base-Backbone interact. energy: -0.017
local terms energy: -50.422062
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -93.726511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.726511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.726511 (E_RNA)
where:
Base-Base interactions energy: -46.249
where: short stacking energy: -16.010
Base-Backbone interact. energy: 0.355
local terms energy: -47.833139
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -235.437443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.437443 (E_RNA)
where:
Base-Base interactions energy: -156.969
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.290
local terms energy: -78.179140
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -233.939795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.939795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.939795 (E_RNA)
where:
Base-Base interactions energy: -158.379
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.001
local terms energy: -75.559102
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.694
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: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -224.304666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.304666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.304666 (E_RNA)
where:
Base-Base interactions energy: -154.410
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.004
local terms energy: -69.890976
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.092
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -217.852786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852786 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.555
local terms energy: -76.194438
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -21.567
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: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -202.387592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.387592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.387592 (E_RNA)
where:
Base-Base interactions energy: -128.800
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.122
local terms energy: -73.465649
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -15.850
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: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -204.854261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.854261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.854261 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.248
local terms energy: -60.821457
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -7.043
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -205.183169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.183169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.183169 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.004
local terms energy: -70.761753
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.364
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: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -155.142104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.142104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.142104 (E_RNA)
where:
Base-Base interactions energy: -102.227
where: short stacking energy: -35.806
Base-Backbone interact. energy: -0.083
local terms energy: -52.831846
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -9.298
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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -74.588865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.588865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.588865 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.068
local terms energy: -49.750722
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -2.539
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -73.644216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.644216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.644216 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.319
local terms energy: -47.725318
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -240.825110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.825110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.825110 (E_RNA)
where:
Base-Base interactions energy: -159.710
where: short stacking energy: -70.299
Base-Backbone interact. energy: -1.682
local terms energy: -79.432981
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -227.668005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.668005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.668005 (E_RNA)
where:
Base-Base interactions energy: -151.856
where: short stacking energy: -70.470
Base-Backbone interact. energy: -1.784
local terms energy: -74.027695
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -220.316563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.316563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.316563 (E_RNA)
where:
Base-Base interactions energy: -150.521
where: short stacking energy: -56.846
Base-Backbone interact. energy: -1.064
local terms energy: -68.731616
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -17.193
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: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -222.720070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720070 (E_RNA)
where:
Base-Base interactions energy: -148.261
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.087
local terms energy: -74.371954
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -211.128845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.128845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.128845 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.000
local terms energy: -67.834335
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -191.760972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.760972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.760972 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -57.414
Base-Backbone interact. energy: -1.169
local terms energy: -58.850171
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -7.754
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: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -195.249858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.249858 (E_RNA)
where:
Base-Base interactions energy: -135.875
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.090
local terms energy: -59.284637
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -16.446
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: 121
Temperature: 1.250000
Total energy: -136.681180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.681180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.681180 (E_RNA)
where:
Base-Base interactions energy: -84.179
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.035
local terms energy: -52.466955
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -6.560
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -71.959901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.959901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.959901 (E_RNA)
where:
Base-Base interactions energy: -27.660
where: short stacking energy: -25.765
Base-Backbone interact. energy: 1.038
local terms energy: -45.337792
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -68.345748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.345748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.345748 (E_RNA)
where:
Base-Base interactions energy: -22.342
where: short stacking energy: -22.342
Base-Backbone interact. energy: -0.185
local terms energy: -45.819368
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: 3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -232.873159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.873159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873159 (E_RNA)
where:
Base-Base interactions energy: -158.868
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.002
local terms energy: -74.003510
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -223.068021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.068021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.068021 (E_RNA)
where:
Base-Base interactions energy: -143.883
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.001
local terms energy: -79.184157
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -230.117355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.117355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.117355 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -75.382
Base-Backbone interact. energy: -2.519
local terms energy: -71.896306
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -229.455996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.455996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455996 (E_RNA)
where:
Base-Base interactions energy: -158.419
where: short stacking energy: -69.681
Base-Backbone interact. energy: -1.285
local terms energy: -69.751583
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -208.972611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.972611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.972611 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -53.380
Base-Backbone interact. energy: -0.031
local terms energy: -73.536273
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -18.246
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: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -206.685857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.685857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.685857 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.450
local terms energy: -68.503752
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.659
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: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -191.158667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.158667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.158667 (E_RNA)
where:
Base-Base interactions energy: -127.682
where: short stacking energy: -53.062
Base-Backbone interact. energy: -0.612
local terms energy: -62.864828
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -152.795572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.795572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.795572 (E_RNA)
where:
Base-Base interactions energy: -86.847
where: short stacking energy: -43.828
Base-Backbone interact. energy: -0.120
local terms energy: -65.828788
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.167
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: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.257996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257996 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -27.472
Base-Backbone interact. energy: -0.087
local terms energy: -53.446065
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -78.526559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.526559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.526559 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -25.246
Base-Backbone interact. energy: -0.107
local terms energy: -45.874794
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -2.381
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -234.261954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.261954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.261954 (E_RNA)
where:
Base-Base interactions energy: -154.208
where: short stacking energy: -67.356
Base-Backbone interact. energy: -0.593
local terms energy: -79.461426
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -16.677
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -227.550710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.550710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550710 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.161
local terms energy: -81.347092
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -212.312519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.312519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.312519 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.007
local terms energy: -67.058151
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -209.660210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.660210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660210 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.074
local terms energy: -71.241601
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -19.132
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -204.768492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.768492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.768492 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -61.937
Base-Backbone interact. energy: -0.058
local terms energy: -70.954054
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -16.160
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -201.816158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.816158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.816158 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.976
local terms energy: -62.099105
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -177.083092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.083092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.083092 (E_RNA)
where:
Base-Base interactions energy: -109.703
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.470
local terms energy: -66.909470
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -7.915
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: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -151.073394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.073394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.073394 (E_RNA)
where:
Base-Base interactions energy: -92.548
where: short stacking energy: -43.615
Base-Backbone interact. energy: -0.036
local terms energy: -58.488856
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.081
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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -78.380739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.380739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.380739 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.140
local terms energy: -51.486904
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -69.774867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.774867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.774867 (E_RNA)
where:
Base-Base interactions energy: -21.605
where: short stacking energy: -19.839
Base-Backbone interact. energy: -0.244
local terms energy: -47.926171
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -242.809795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.809795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.809795 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -72.020
Base-Backbone interact. energy: -0.016
local terms energy: -80.949119
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.034
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: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -235.279383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.279383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.279383 (E_RNA)
where:
Base-Base interactions energy: -162.924
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.003
local terms energy: -72.352095
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -23.168
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -213.820155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.820155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.820155 (E_RNA)
where:
Base-Base interactions energy: -140.941
where: short stacking energy: -56.092
Base-Backbone interact. energy: -0.302
local terms energy: -72.577219
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.410
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: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -207.774918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774918 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.731
local terms energy: -72.596284
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -210.996030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.996030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.996030 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.168
local terms energy: -68.034009
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -202.901729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.901729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.901729 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.474
local terms energy: -69.803635
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -188.200911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.200911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.200911 (E_RNA)
where:
Base-Base interactions energy: -120.303
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.015
local terms energy: -67.882813
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -4.922
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: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -146.622825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.622825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.622825 (E_RNA)
where:
Base-Base interactions energy: -83.709
where: short stacking energy: -45.727
Base-Backbone interact. energy: -0.813
local terms energy: -62.101179
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.010
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: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -78.215264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.215264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.215264 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -28.431
Base-Backbone interact. energy: 1.185
local terms energy: -44.761403
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -78.309935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.309935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.309935 (E_RNA)
where:
Base-Base interactions energy: -27.342
where: short stacking energy: -15.497
Base-Backbone interact. energy: 0.355
local terms energy: -51.323004
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -230.418799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.418799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.418799 (E_RNA)
where:
Base-Base interactions energy: -153.799
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.003
local terms energy: -76.617710
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -238.749898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.749898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.749898 (E_RNA)
where:
Base-Base interactions energy: -159.054
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.007
local terms energy: -79.688808
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -222.749353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.749353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.749353 (E_RNA)
where:
Base-Base interactions energy: -149.025
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.099
local terms energy: -73.625202
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.158
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -210.353473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.353473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353473 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.007
local terms energy: -76.894310
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -204.543908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.543908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.543908 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.051
local terms energy: -74.681458
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -204.449506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.449506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.449506 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.395
local terms energy: -63.088022
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -17.650
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: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -197.543162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543162 (E_RNA)
where:
Base-Base interactions energy: -130.924
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.131
local terms energy: -66.488749
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.603
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: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -125.979710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.979710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.979710 (E_RNA)
where:
Base-Base interactions energy: -73.150
where: short stacking energy: -43.119
Base-Backbone interact. energy: -0.142
local terms energy: -52.688148
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -120.606300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.606300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.606300 (E_RNA)
where:
Base-Base interactions energy: -66.602
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.139
local terms energy: -53.864885
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -2.247
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: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -81.636460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.636460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.636460 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -21.227
Base-Backbone interact. energy: -0.242
local terms energy: -49.147579
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: 2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -246.409819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.409819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.409819 (E_RNA)
where:
Base-Base interactions energy: -164.170
where: short stacking energy: -71.227
Base-Backbone interact. energy: -2.802
local terms energy: -79.438342
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -233.227252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.227252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.227252 (E_RNA)
where:
Base-Base interactions energy: -156.467
where: short stacking energy: -69.704
Base-Backbone interact. energy: 0.012
local terms energy: -76.771996
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -19.483
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: 126
Temperature: 1.000000
Total energy: -208.394214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.394214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.394214 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.093
local terms energy: -71.626589
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -19.964
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: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -217.693225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.693225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.693225 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.094
local terms energy: -74.590558
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -229.303274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.303274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.303274 (E_RNA)
where:
Base-Base interactions energy: -153.459
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.045
local terms energy: -75.799917
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -210.461262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.461262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.461262 (E_RNA)
where:
Base-Base interactions energy: -134.399
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.304
local terms energy: -75.758093
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -22.054
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -195.333185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.333185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.333185 (E_RNA)
where:
Base-Base interactions energy: -128.342
where: short stacking energy: -59.541
Base-Backbone interact. energy: -0.486
local terms energy: -66.505298
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -156.615565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.615565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.615565 (E_RNA)
where:
Base-Base interactions energy: -89.314
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.012
local terms energy: -67.289793
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -119.501315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.501315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.501315 (E_RNA)
where:
Base-Base interactions energy: -70.371
where: short stacking energy: -27.356
Base-Backbone interact. energy: -0.103
local terms energy: -49.028154
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -71.237899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.237899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.237899 (E_RNA)
where:
Base-Base interactions energy: -30.168
where: short stacking energy: -20.322
Base-Backbone interact. energy: 0.248
local terms energy: -41.318245
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -1.265
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: 127
Temperature: 0.900000
Total energy: -243.036817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.036817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.036817 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.017
local terms energy: -84.270050
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -232.210858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.210858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.210858 (E_RNA)
where:
Base-Base interactions energy: -157.387
where: short stacking energy: -75.739
Base-Backbone interact. energy: -0.009
local terms energy: -74.814664
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -22.356
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -218.209088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.209088 (E_RNA)
where:
Base-Base interactions energy: -146.927
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.217
local terms energy: -71.065147
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -19.560
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: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -220.384745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.384745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.384745 (E_RNA)
where:
Base-Base interactions energy: -148.118
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.546
local terms energy: -71.720469
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -201.122836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.122836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.122836 (E_RNA)
where:
Base-Base interactions energy: -137.570
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.031
local terms energy: -63.522340
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -197.857625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.857625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.857625 (E_RNA)
where:
Base-Base interactions energy: -131.097
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.200
local terms energy: -66.560719
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -13.895
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: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -199.515318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.515318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.515318 (E_RNA)
where:
Base-Base interactions energy: -128.629
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.477
local terms energy: -70.409118
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -152.871040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.871040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.871040 (E_RNA)
where:
Base-Base interactions energy: -86.294
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.043
local terms energy: -66.533949
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -99.660427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.660427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.660427 (E_RNA)
where:
Base-Base interactions energy: -48.464
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.076
local terms energy: -51.120053
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -5.035
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: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -82.946314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.946314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.946314 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.212
local terms energy: -49.156289
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -224.373704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.373704 (E_RNA)
where:
Base-Base interactions energy: -147.733
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.019
local terms energy: -76.622509
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -225.269055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.269055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.269055 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -63.889
Base-Backbone interact. energy: -3.585
local terms energy: -77.199407
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.659
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: 128
Temperature: 1.000000
Total energy: -216.435735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.435735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.435735 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.451
local terms energy: -77.755644
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -22.748
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -220.467175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.467175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.467175 (E_RNA)
where:
Base-Base interactions energy: -148.304
where: short stacking energy: -66.072
Base-Backbone interact. energy: 0.012
local terms energy: -72.175012
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -22.067
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -214.677393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677393 (E_RNA)
where:
Base-Base interactions energy: -137.330
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.075
local terms energy: -77.271909
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -21.016
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: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -197.330205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.330205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.330205 (E_RNA)
where:
Base-Base interactions energy: -136.127
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.263
local terms energy: -60.939564
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -192.823325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.823325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.823325 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.520
local terms energy: -59.809121
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -110.483690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.483690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.483690 (E_RNA)
where:
Base-Base interactions energy: -56.866
where: short stacking energy: -36.604
Base-Backbone interact. energy: -0.125
local terms energy: -53.493440
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -71.690469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.690469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.690469 (E_RNA)
where:
Base-Base interactions energy: -20.209
where: short stacking energy: -19.803
Base-Backbone interact. energy: -0.416
local terms energy: -51.064742
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -0.810
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -73.843855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.843855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.843855 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -24.842
Base-Backbone interact. energy: 0.151
local terms energy: -45.808501
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: 0.445
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -221.194600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194600 (E_RNA)
where:
Base-Base interactions energy: -143.984
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.276
local terms energy: -76.934324
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -217.720132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.720132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.720132 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.002
local terms energy: -72.996758
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -226.458836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.458836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.458836 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.003
local terms energy: -79.237889
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -21.228
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: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -223.297315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297315 (E_RNA)
where:
Base-Base interactions energy: -153.285
where: short stacking energy: -61.704
Base-Backbone interact. energy: -0.030
local terms energy: -69.982001
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -15.468
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: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -203.304835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304835 (E_RNA)
where:
Base-Base interactions energy: -134.730
where: short stacking energy: -55.103
Base-Backbone interact. energy: 0.334
local terms energy: -68.909034
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -204.446957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.446957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.446957 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.158
local terms energy: -71.759173
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -192.892607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.892607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.892607 (E_RNA)
where:
Base-Base interactions energy: -134.110
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.208
local terms energy: -58.574871
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -11.693
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -88.056534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.056534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.056534 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -32.731
Base-Backbone interact. energy: -0.253
local terms energy: -49.817051
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.979
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -89.325504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.325504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.325504 (E_RNA)
where:
Base-Base interactions energy: -49.877
where: short stacking energy: -21.112
Base-Backbone interact. energy: -0.837
local terms energy: -38.611344
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -8.521
flat angles C4'-P-C4' energy: -5.249
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -79.442659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.442659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.442659 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.121
local terms energy: -50.752077
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -220.023038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.023038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.023038 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.897
local terms energy: -70.371615
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -16.991
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: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -216.229969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229969 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -62.655
Base-Backbone interact. energy: 0.309
local terms energy: -73.255972
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -11.439
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: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -227.101976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.101976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.101976 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.037
local terms energy: -80.271602
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.417
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -234.915578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.915578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.915578 (E_RNA)
where:
Base-Base interactions energy: -157.948
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.057
local terms energy: -76.910961
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -21.576
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -203.946272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.946272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.946272 (E_RNA)
where:
Base-Base interactions energy: -132.222
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.000
local terms energy: -71.723964
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -220.433153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.433153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.433153 (E_RNA)
where:
Base-Base interactions energy: -142.626
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.980
local terms energy: -76.827165
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.719
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: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -186.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.918538 (E_RNA)
where:
Base-Base interactions energy: -126.278
where: short stacking energy: -52.061
Base-Backbone interact. energy: -0.370
local terms energy: -60.270486
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -11.715
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -83.621148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.621148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.621148 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -27.881
Base-Backbone interact. energy: -0.336
local terms energy: -49.728171
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -81.154987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.154987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.154987 (E_RNA)
where:
Base-Base interactions energy: -28.440
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.070
local terms energy: -52.644971
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -80.890169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.890169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.890169 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -24.996
Base-Backbone interact. energy: 1.759
local terms energy: -46.565782
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -223.306002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306002 (E_RNA)
where:
Base-Base interactions energy: -145.441
where: short stacking energy: -66.678
Base-Backbone interact. energy: -0.006
local terms energy: -77.859913
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -11.844
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -233.933305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.933305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.933305 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.002
local terms energy: -73.144238
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -225.337879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.337879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.337879 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.087
local terms energy: -72.489134
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -12.056
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -217.675719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.675719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.675719 (E_RNA)
where:
Base-Base interactions energy: -144.914
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.045
local terms energy: -72.716710
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.987
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: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -202.315745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.315745 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.580
local terms energy: -65.202963
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.100
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: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -159.750438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.750438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.750438 (E_RNA)
where:
Base-Base interactions energy: -101.551
where: short stacking energy: -39.322
Base-Backbone interact. energy: -0.679
local terms energy: -57.520674
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -196.489200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.489200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.489200 (E_RNA)
where:
Base-Base interactions energy: -128.437
where: short stacking energy: -49.413
Base-Backbone interact. energy: -0.513
local terms energy: -67.539408
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -15.441
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: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -98.900999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.900999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.900999 (E_RNA)
where:
Base-Base interactions energy: -50.865
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.715
local terms energy: -47.321395
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -74.972440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.972440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.972440 (E_RNA)
where:
Base-Base interactions energy: -26.769
where: short stacking energy: -25.655
Base-Backbone interact. energy: 0.529
local terms energy: -48.732197
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -78.423870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423870 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.448
local terms energy: -44.224184
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -1.411
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: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -234.053584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.053584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.053584 (E_RNA)
where:
Base-Base interactions energy: -164.584
where: short stacking energy: -67.104
Base-Backbone interact. energy: 0.420
local terms energy: -69.889934
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -19.634
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: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -220.129351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.129351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.129351 (E_RNA)
where:
Base-Base interactions energy: -151.833
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.002
local terms energy: -68.294190
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -223.494767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.494767 (E_RNA)
where:
Base-Base interactions energy: -146.412
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.012
local terms energy: -77.070382
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -20.555
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -231.261338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.261338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.261338 (E_RNA)
where:
Base-Base interactions energy: -151.151
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.005
local terms energy: -80.105123
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -198.118069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.118069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.118069 (E_RNA)
where:
Base-Base interactions energy: -129.263
where: short stacking energy: -65.628
Base-Backbone interact. energy: -0.314
local terms energy: -68.541520
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.593
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: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -203.519809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.519809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.519809 (E_RNA)
where:
Base-Base interactions energy: -132.842
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.429
local terms energy: -70.248804
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.837
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: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -194.733396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733396 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -54.494
Base-Backbone interact. energy: 0.122
local terms energy: -73.093141
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -16.482
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: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -81.869220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869220 (E_RNA)
where:
Base-Base interactions energy: -26.972
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.024
local terms energy: -54.872859
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -7.457
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: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -96.496261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496261 (E_RNA)
where:
Base-Base interactions energy: -54.295
where: short stacking energy: -22.514
Base-Backbone interact. energy: -1.852
local terms energy: -40.349310
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -1.385
tors. eta vs tors. theta energy: -2.999
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: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.437593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.437593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.437593 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.052
local terms energy: -46.825791
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -1.687
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -237.905358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.905358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.905358 (E_RNA)
where:
Base-Base interactions energy: -156.332
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.010
local terms energy: -81.563967
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -232.950310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.950310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.950310 (E_RNA)
where:
Base-Base interactions energy: -157.052
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.002
local terms energy: -75.896490
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -21.234
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -224.096190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.096190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096190 (E_RNA)
where:
Base-Base interactions energy: -149.660
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.136
local terms energy: -74.300132
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -220.231572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.231572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.231572 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.001
local terms energy: -68.004482
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -212.766928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.766928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.766928 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.083
local terms energy: -70.198836
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -202.750879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750879 (E_RNA)
where:
Base-Base interactions energy: -134.592
where: short stacking energy: -65.678
Base-Backbone interact. energy: 1.171
local terms energy: -69.329780
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -188.271147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.271147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.271147 (E_RNA)
where:
Base-Base interactions energy: -125.724
where: short stacking energy: -56.925
Base-Backbone interact. energy: 0.925
local terms energy: -63.471842
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -134.247824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.247824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.247824 (E_RNA)
where:
Base-Base interactions energy: -82.869
where: short stacking energy: -40.785
Base-Backbone interact. energy: -2.233
local terms energy: -49.145066
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -77.398745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.398745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.398745 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.075
local terms energy: -44.848408
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -71.578317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578317 (E_RNA)
where:
Base-Base interactions energy: -19.802
where: short stacking energy: -15.570
Base-Backbone interact. energy: -0.228
local terms energy: -51.548240
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -231.352919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.352919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.352919 (E_RNA)
where:
Base-Base interactions energy: -157.130
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.196
local terms energy: -74.027073
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.862
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: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -230.355549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.355549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.355549 (E_RNA)
where:
Base-Base interactions energy: -155.491
where: short stacking energy: -73.270
Base-Backbone interact. energy: -0.000
local terms energy: -74.864256
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -229.289915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.289915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.289915 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -70.682
Base-Backbone interact. energy: 0.895
local terms energy: -73.022584
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -206.939285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939285 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.213
local terms energy: -73.746388
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -201.907313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.907313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.907313 (E_RNA)
where:
Base-Base interactions energy: -129.537
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.002
local terms energy: -72.368464
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -220.090588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.090588 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -69.635
Base-Backbone interact. energy: -1.184
local terms energy: -75.567883
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.993
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: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -200.246693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.246693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.246693 (E_RNA)
where:
Base-Base interactions energy: -132.328
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.471
local terms energy: -67.447789
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -139.828726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.828726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.828726 (E_RNA)
where:
Base-Base interactions energy: -82.937
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.134
local terms energy: -56.757573
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.758668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758668 (E_RNA)
where:
Base-Base interactions energy: -32.104
where: short stacking energy: -28.566
Base-Backbone interact. energy: -1.250
local terms energy: -47.404776
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -88.417634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417634 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.194
local terms energy: -57.314508
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -234.748006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748006 (E_RNA)
where:
Base-Base interactions energy: -162.414
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.022
local terms energy: -72.312422
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -230.391015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.391015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.391015 (E_RNA)
where:
Base-Base interactions energy: -156.405
where: short stacking energy: -71.638
Base-Backbone interact. energy: 1.390
local terms energy: -75.375940
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -226.566528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566528 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.046
local terms energy: -76.034776
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -205.506573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.506573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.506573 (E_RNA)
where:
Base-Base interactions energy: -135.532
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.033
local terms energy: -69.941797
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -202.002932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002932 (E_RNA)
where:
Base-Base interactions energy: -131.201
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.176
local terms energy: -70.625668
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -198.470102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.470102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.470102 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -62.369
Base-Backbone interact. energy: -0.497
local terms energy: -65.900234
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -191.039424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.039424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039424 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -60.504
Base-Backbone interact. energy: -1.259
local terms energy: -62.326220
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -16.272
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -140.926796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.926796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.926796 (E_RNA)
where:
Base-Base interactions energy: -84.627
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.206
local terms energy: -56.093211
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -5.082
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: 135
Temperature: 1.300000
Total energy: -76.236716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236716 (E_RNA)
where:
Base-Base interactions energy: -37.161
where: short stacking energy: -23.159
Base-Backbone interact. energy: -0.077
local terms energy: -38.998674
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -2.026
tors. eta vs tors. theta energy: -1.224
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: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -81.318892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.318892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.318892 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.125
local terms energy: -51.459328
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -241.369140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.369140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.369140 (E_RNA)
where:
Base-Base interactions energy: -159.628
where: short stacking energy: -75.401
Base-Backbone interact. energy: -0.001
local terms energy: -81.739703
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -214.044708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.044708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044708 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -55.351
Base-Backbone interact. energy: -3.839
local terms energy: -73.922947
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -14.032
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: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -213.659805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.659805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.659805 (E_RNA)
where:
Base-Base interactions energy: -140.286
where: short stacking energy: -58.766
Base-Backbone interact. energy: 0.166
local terms energy: -73.540447
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -5.861
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: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -217.004867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.004867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.004867 (E_RNA)
where:
Base-Base interactions energy: -141.133
where: short stacking energy: -66.045
Base-Backbone interact. energy: 0.182
local terms energy: -76.053991
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -203.164933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.164933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164933 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.281
local terms energy: -71.922986
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -16.303
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -203.496677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.496677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.496677 (E_RNA)
where:
Base-Base interactions energy: -133.697
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.183
local terms energy: -69.616807
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -148.210652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.210652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.210652 (E_RNA)
where:
Base-Base interactions energy: -89.495
where: short stacking energy: -47.058
Base-Backbone interact. energy: -0.533
local terms energy: -58.182845
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -8.615
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: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -191.371295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.371295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.371295 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -57.495
Base-Backbone interact. energy: 0.543
local terms energy: -72.791803
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -78.559123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.559123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.559123 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -32.863
Base-Backbone interact. energy: -0.117
local terms energy: -40.691139
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -76.294375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.294375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.294375 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -25.001
Base-Backbone interact. energy: -1.093
local terms energy: -47.474138
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -235.244980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.244980 (E_RNA)
where:
Base-Base interactions energy: -155.528
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.015
local terms energy: -79.702646
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -233.395236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.395236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.395236 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -71.172
Base-Backbone interact. energy: -0.004
local terms energy: -78.125619
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -214.027803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027803 (E_RNA)
where:
Base-Base interactions energy: -139.271
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.130
local terms energy: -74.626303
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -17.548
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: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -210.129493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129493 (E_RNA)
where:
Base-Base interactions energy: -142.033
where: short stacking energy: -64.122
Base-Backbone interact. energy: 0.424
local terms energy: -68.520369
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -204.589470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.589470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.589470 (E_RNA)
where:
Base-Base interactions energy: -154.453
where: short stacking energy: -67.967
Base-Backbone interact. energy: -0.123
local terms energy: -50.013442
where:
bonds (distance) C4'-P energy: -3.884
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -209.962037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.962037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.962037 (E_RNA)
where:
Base-Base interactions energy: -142.037
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.075
local terms energy: -67.850103
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -17.731
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: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -152.082460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.082460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.082460 (E_RNA)
where:
Base-Base interactions energy: -95.580
where: short stacking energy: -51.755
Base-Backbone interact. energy: -0.214
local terms energy: -56.288738
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -184.332083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.332083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.332083 (E_RNA)
where:
Base-Base interactions energy: -123.670
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.089
local terms energy: -60.572655
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -77.703618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.703618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.703618 (E_RNA)
where:
Base-Base interactions energy: -26.940
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.017
local terms energy: -50.746665
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -70.873597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.873597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.873597 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -33.047
Base-Backbone interact. energy: -0.275
local terms energy: -33.282556
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -1.783
tors. eta vs tors. theta energy: -0.063
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: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -221.481381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481381 (E_RNA)
where:
Base-Base interactions energy: -151.438
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.087
local terms energy: -69.956883
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.857
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: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -216.718013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.718013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.718013 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.072
local terms energy: -76.286147
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.664
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: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -215.926896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.926896 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.014
local terms energy: -79.660897
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -217.070810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.070810 (E_RNA)
where:
Base-Base interactions energy: -154.410
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.038
local terms energy: -62.622609
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -5.128
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -217.665479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665479 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -63.533
Base-Backbone interact. energy: 1.421
local terms energy: -72.056968
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -196.622728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.622728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.622728 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.027
local terms energy: -70.515999
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -15.312
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: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -189.403032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.403032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.403032 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -59.941
Base-Backbone interact. energy: -0.072
local terms energy: -64.574961
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -138.384118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.384118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.384118 (E_RNA)
where:
Base-Base interactions energy: -83.356
where: short stacking energy: -42.736
Base-Backbone interact. energy: -0.016
local terms energy: -55.012135
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -10.732
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: 138
Temperature: 1.300000
Total energy: -80.412520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.412520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.412520 (E_RNA)
where:
Base-Base interactions energy: -33.951
where: short stacking energy: -26.072
Base-Backbone interact. energy: 0.996
local terms energy: -47.457630
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -11.562
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: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -80.304000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.304000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.304000 (E_RNA)
where:
Base-Base interactions energy: -25.387
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.297
local terms energy: -54.620525
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -226.323812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323812 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.523
local terms energy: -74.750528
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -16.132
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: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -213.280285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.280285 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.570
local terms energy: -72.963606
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -218.582137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.582137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.582137 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.748
local terms energy: -72.822519
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -212.989105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.989105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.989105 (E_RNA)
where:
Base-Base interactions energy: -144.207
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.029
local terms energy: -68.753605
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -206.838805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.838805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.838805 (E_RNA)
where:
Base-Base interactions energy: -140.056
where: short stacking energy: -72.231
Base-Backbone interact. energy: -0.014
local terms energy: -66.768672
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -6.688
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: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -202.935716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.935716 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.025
local terms energy: -68.276319
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -197.667399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667399 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.018
local terms energy: -67.149493
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -149.118853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.118853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.118853 (E_RNA)
where:
Base-Base interactions energy: -92.587
where: short stacking energy: -46.709
Base-Backbone interact. energy: -0.449
local terms energy: -56.083147
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -88.356153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.356153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.356153 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.064
local terms energy: -52.708166
where:
bonds (distance) C4'-P energy: -6.799
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -5.762
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: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -73.901256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.901256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.901256 (E_RNA)
where:
Base-Base interactions energy: -24.760
where: short stacking energy: -24.760
Base-Backbone interact. energy: -0.532
local terms energy: -48.609082
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -220.706950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.706950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.706950 (E_RNA)
where:
Base-Base interactions energy: -149.791
where: short stacking energy: -64.782
Base-Backbone interact. energy: 1.107
local terms energy: -72.022883
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -221.647464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.647464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.647464 (E_RNA)
where:
Base-Base interactions energy: -147.648
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.009
local terms energy: -73.990635
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -214.095952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.095952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.095952 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -60.109
Base-Backbone interact. energy: -1.361
local terms energy: -70.445356
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -221.043026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.043026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.043026 (E_RNA)
where:
Base-Base interactions energy: -157.500
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.092
local terms energy: -63.451559
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -204.240930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.240930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.240930 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.210
local terms energy: -67.347683
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -17.401
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: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -196.107324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.107324 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.030
local terms energy: -66.378203
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -194.876910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.876910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.876910 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.499
local terms energy: -62.662174
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -137.908613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.908613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.908613 (E_RNA)
where:
Base-Base interactions energy: -84.348
where: short stacking energy: -41.601
Base-Backbone interact. energy: -0.271
local terms energy: -53.290078
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -85.488064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.488064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.488064 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.513
local terms energy: -50.245482
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -8.190
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: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -75.021708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.021708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.021708 (E_RNA)
where:
Base-Base interactions energy: -18.307
where: short stacking energy: -18.148
Base-Backbone interact. energy: -0.259
local terms energy: -56.456133
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -229.550280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.550280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.550280 (E_RNA)
where:
Base-Base interactions energy: -155.626
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.267
local terms energy: -73.657087
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -220.881952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.881952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.881952 (E_RNA)
where:
Base-Base interactions energy: -151.910
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.199
local terms energy: -68.773012
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -210.435607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.435607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435607 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -70.349
Base-Backbone interact. energy: -0.013
local terms energy: -65.991408
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -207.549330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.549330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.549330 (E_RNA)
where:
Base-Base interactions energy: -132.909
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.012
local terms energy: -74.628261
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.632
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -201.561292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561292 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.165
local terms energy: -69.881342
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -197.375658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.375658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.375658 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.023
local terms energy: -57.757560
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -199.605633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.605633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.605633 (E_RNA)
where:
Base-Base interactions energy: -125.005
where: short stacking energy: -59.506
Base-Backbone interact. energy: -0.085
local terms energy: -74.515514
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -95.636443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.636443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.636443 (E_RNA)
where:
Base-Base interactions energy: -42.413
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.127
local terms energy: -53.096470
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -138.246806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.246806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.246806 (E_RNA)
where:
Base-Base interactions energy: -86.413
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.107
local terms energy: -51.726965
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -70.259833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.259833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.259833 (E_RNA)
where:
Base-Base interactions energy: -26.215
where: short stacking energy: -25.124
Base-Backbone interact. energy: 5.563
local terms energy: -49.608024
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.529351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.529351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.529351 (E_RNA)
where:
Base-Base interactions energy: -160.205
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.001
local terms energy: -77.323182
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -217.228146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228146 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.461
local terms energy: -73.594487
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -215.163992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.163992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.163992 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.139
local terms energy: -68.970205
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -19.362
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -208.797999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.797999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.797999 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -71.594
Base-Backbone interact. energy: 0.072
local terms energy: -71.122855
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -222.707613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.707613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.707613 (E_RNA)
where:
Base-Base interactions energy: -148.273
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.048
local terms energy: -74.386763
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -21.330
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: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -202.097210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.097210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097210 (E_RNA)
where:
Base-Base interactions energy: -135.058
where: short stacking energy: -62.750
Base-Backbone interact. energy: -1.224
local terms energy: -65.815528
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -14.606
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: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -198.693692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.693692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.693692 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.030
local terms energy: -68.641175
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -91.112038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112038 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -24.955
Base-Backbone interact. energy: 0.134
local terms energy: -49.719882
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -128.362772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.362772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.362772 (E_RNA)
where:
Base-Base interactions energy: -78.507
where: short stacking energy: -42.337
Base-Backbone interact. energy: -0.039
local terms energy: -49.816690
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -8.388
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -65.752428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.752428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.752428 (E_RNA)
where:
Base-Base interactions energy: -22.695
where: short stacking energy: -22.123
Base-Backbone interact. energy: -0.168
local terms energy: -42.889217
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: 3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -231.795378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.795378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.795378 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.001
local terms energy: -77.288378
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.077
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -238.213942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.213942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.213942 (E_RNA)
where:
Base-Base interactions energy: -156.248
where: short stacking energy: -71.795
Base-Backbone interact. energy: -0.041
local terms energy: -81.924627
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -22.606
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: 143
Temperature: 1.000000
Total energy: -212.571455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.571455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.571455 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -62.366
Base-Backbone interact. energy: -1.150
local terms energy: -72.706278
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -210.084522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.084522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.084522 (E_RNA)
where:
Base-Base interactions energy: -138.337
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.521
local terms energy: -71.226168
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.000
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: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -198.363687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.363687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.363687 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.179
local terms energy: -65.593645
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -17.795
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: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -193.091639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.091639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.091639 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.071
local terms energy: -70.407165
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -184.189618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.189618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.189618 (E_RNA)
where:
Base-Base interactions energy: -121.681
where: short stacking energy: -48.773
Base-Backbone interact. energy: -1.342
local terms energy: -61.165851
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -9.185
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: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -150.527184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.527184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.527184 (E_RNA)
where:
Base-Base interactions energy: -90.112
where: short stacking energy: -45.839
Base-Backbone interact. energy: -0.023
local terms energy: -60.392528
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -11.535
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: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -88.332025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332025 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -24.398
Base-Backbone interact. energy: 0.427
local terms energy: -51.821318
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -77.773031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.773031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.773031 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -20.027
Base-Backbone interact. energy: 1.585
local terms energy: -53.811450
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.258
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: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -243.935783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.935783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.935783 (E_RNA)
where:
Base-Base interactions energy: -163.437
where: short stacking energy: -74.373
Base-Backbone interact. energy: -1.708
local terms energy: -78.790850
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -22.150
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: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -237.022120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.022120 (E_RNA)
where:
Base-Base interactions energy: -160.929
where: short stacking energy: -73.575
Base-Backbone interact. energy: -0.023
local terms energy: -76.070084
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -212.553250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.553250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.553250 (E_RNA)
where:
Base-Base interactions energy: -134.203
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.082
local terms energy: -78.267498
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -14.617
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: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -206.721368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.721368 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.188
local terms energy: -65.655011
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -15.796
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -202.842783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.842783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.842783 (E_RNA)
where:
Base-Base interactions energy: -133.431
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.112
local terms energy: -69.299722
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -212.996216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.996216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996216 (E_RNA)
where:
Base-Base interactions energy: -140.300
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.042
local terms energy: -72.654276
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -156.858714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.858714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.858714 (E_RNA)
where:
Base-Base interactions energy: -97.943
where: short stacking energy: -47.449
Base-Backbone interact. energy: -0.064
local terms energy: -58.851618
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -193.322997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322997 (E_RNA)
where:
Base-Base interactions energy: -121.893
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.045
local terms energy: -71.384659
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -92.357378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357378 (E_RNA)
where:
Base-Base interactions energy: -40.810
where: short stacking energy: -32.769
Base-Backbone interact. energy: 0.426
local terms energy: -51.973843
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.333902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.333902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.333902 (E_RNA)
where:
Base-Base interactions energy: -27.058
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.066
local terms energy: -49.209804
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -234.843119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.843119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.843119 (E_RNA)
where:
Base-Base interactions energy: -162.798
where: short stacking energy: -71.141
Base-Backbone interact. energy: 1.783
local terms energy: -73.828453
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -227.419213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.419213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.419213 (E_RNA)
where:
Base-Base interactions energy: -158.004
where: short stacking energy: -66.869
Base-Backbone interact. energy: -0.005
local terms energy: -69.410009
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -20.753
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -212.612749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.612749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.612749 (E_RNA)
where:
Base-Base interactions energy: -137.901
where: short stacking energy: -57.221
Base-Backbone interact. energy: -1.068
local terms energy: -73.643599
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -208.780616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780616 (E_RNA)
where:
Base-Base interactions energy: -138.629
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.043
local terms energy: -70.107768
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -198.971778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.971778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.971778 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.139
local terms energy: -70.894408
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -206.624685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.624685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.624685 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.163
local terms energy: -65.639860
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -147.383939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.383939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.383939 (E_RNA)
where:
Base-Base interactions energy: -85.511
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.100
local terms energy: -61.773132
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -187.150611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.150611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.150611 (E_RNA)
where:
Base-Base interactions energy: -127.658
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.038
local terms energy: -59.454304
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -6.667
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: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.489031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.489031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.489031 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.154
local terms energy: -38.479019
where:
bonds (distance) C4'-P energy: -3.891
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -76.639200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.639200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.639200 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.277
local terms energy: -46.592138
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: 0.143
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: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -232.085955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.085955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085955 (E_RNA)
where:
Base-Base interactions energy: -150.308
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.656
local terms energy: -81.121703
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -22.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -232.630363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.630363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.630363 (E_RNA)
where:
Base-Base interactions energy: -159.113
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.006
local terms energy: -73.511341
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -213.597325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.597325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597325 (E_RNA)
where:
Base-Base interactions energy: -136.553
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.005
local terms energy: -77.039245
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -20.110
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: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -206.349487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.349487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.349487 (E_RNA)
where:
Base-Base interactions energy: -137.428
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.025
local terms energy: -68.896884
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.549
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -218.018988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.018988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.018988 (E_RNA)
where:
Base-Base interactions energy: -150.717
where: short stacking energy: -55.798
Base-Backbone interact. energy: 0.435
local terms energy: -67.736931
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -202.301422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.301422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.301422 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -60.861
Base-Backbone interact. energy: 1.317
local terms energy: -68.366608
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.419
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: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -145.343300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.343300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.343300 (E_RNA)
where:
Base-Base interactions energy: -84.274
where: short stacking energy: -45.366
Base-Backbone interact. energy: -1.851
local terms energy: -59.217949
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -9.697
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: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -142.830806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.830806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.830806 (E_RNA)
where:
Base-Base interactions energy: -90.531
where: short stacking energy: -44.857
Base-Backbone interact. energy: -1.016
local terms energy: -51.283524
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.905
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: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -82.450155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450155 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -37.540
Base-Backbone interact. energy: 0.225
local terms energy: -44.990735
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: 1.618
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -77.528486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.528486 (E_RNA)
where:
Base-Base interactions energy: -22.427
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.160
local terms energy: -54.940830
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -235.826823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.826823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.826823 (E_RNA)
where:
Base-Base interactions energy: -158.459
where: short stacking energy: -76.662
Base-Backbone interact. energy: -0.004
local terms energy: -77.363845
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -8.652
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: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -239.870416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.870416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.870416 (E_RNA)
where:
Base-Base interactions energy: -161.594
where: short stacking energy: -69.048
Base-Backbone interact. energy: -0.266
local terms energy: -78.011119
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -229.497468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.497468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.497468 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.003
local terms energy: -79.290563
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -21.856
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -224.391213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.391213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.391213 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.042
local terms energy: -72.070159
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.222
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: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -207.795710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795710 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -58.012
Base-Backbone interact. energy: 0.024
local terms energy: -73.289555
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.555
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: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -184.319213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.319213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.319213 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -50.104
Base-Backbone interact. energy: -0.365
local terms energy: -54.962205
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -9.114
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: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -158.454881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.454881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.454881 (E_RNA)
where:
Base-Base interactions energy: -93.478
where: short stacking energy: -50.159
Base-Backbone interact. energy: -0.013
local terms energy: -64.963343
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -139.292028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.292028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.292028 (E_RNA)
where:
Base-Base interactions energy: -90.750
where: short stacking energy: -47.928
Base-Backbone interact. energy: -0.478
local terms energy: -48.063572
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -9.795
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: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -81.363421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.363421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.363421 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -28.512
Base-Backbone interact. energy: 0.049
local terms energy: -49.177536
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -74.840278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.840278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.840278 (E_RNA)
where:
Base-Base interactions energy: -20.792
where: short stacking energy: -20.058
Base-Backbone interact. energy: 0.511
local terms energy: -54.559733
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -233.605025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.605025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.605025 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.631
local terms energy: -81.879732
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -21.901
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: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -229.862733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862733 (E_RNA)
where:
Base-Base interactions energy: -153.723
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.340
local terms energy: -75.799708
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -207.306698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.306698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.306698 (E_RNA)
where:
Base-Base interactions energy: -137.409
where: short stacking energy: -64.641
Base-Backbone interact. energy: -0.001
local terms energy: -69.895902
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -225.341575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.341575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.341575 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.037
local terms energy: -78.299588
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.088
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: 148
Temperature: 1.100000
Total energy: -204.457994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.457994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.457994 (E_RNA)
where:
Base-Base interactions energy: -134.803
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.002
local terms energy: -69.652698
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.547
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: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -148.566952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.566952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.566952 (E_RNA)
where:
Base-Base interactions energy: -97.227
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.255
local terms energy: -51.085551
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -136.354375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.354375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.354375 (E_RNA)
where:
Base-Base interactions energy: -75.393
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.104
local terms energy: -60.857361
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -142.963334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.963334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.963334 (E_RNA)
where:
Base-Base interactions energy: -84.941
where: short stacking energy: -45.038
Base-Backbone interact. energy: -0.315
local terms energy: -57.707383
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -11.509
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -85.901702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.901702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.901702 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -26.177
Base-Backbone interact. energy: -0.311
local terms energy: -51.100527
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -68.893484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.893484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.893484 (E_RNA)
where:
Base-Base interactions energy: -17.967
where: short stacking energy: -17.967
Base-Backbone interact. energy: -0.355
local terms energy: -50.570855
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -218.868592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.868592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.868592 (E_RNA)
where:
Base-Base interactions energy: -143.984
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.003
local terms energy: -74.881415
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -234.289681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.289681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.289681 (E_RNA)
where:
Base-Base interactions energy: -153.614
where: short stacking energy: -74.569
Base-Backbone interact. energy: -2.728
local terms energy: -77.947970
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -219.151994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.151994 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -65.068
Base-Backbone interact. energy: 0.860
local terms energy: -71.952327
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -17.771
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: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -207.373713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.373713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.373713 (E_RNA)
where:
Base-Base interactions energy: -137.169
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.037
local terms energy: -70.167774
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -17.520
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: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -224.404504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.404504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.404504 (E_RNA)
where:
Base-Base interactions energy: -158.272
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.010
local terms energy: -66.121640
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -157.153676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.153676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.153676 (E_RNA)
where:
Base-Base interactions energy: -98.644
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.178
local terms energy: -58.332370
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -139.482263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.482263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.482263 (E_RNA)
where:
Base-Base interactions energy: -81.214
where: short stacking energy: -37.790
Base-Backbone interact. energy: 0.215
local terms energy: -58.483425
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -152.212763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.212763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.212763 (E_RNA)
where:
Base-Base interactions energy: -91.828
where: short stacking energy: -48.258
Base-Backbone interact. energy: -0.031
local terms energy: -60.353482
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -13.325
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: 149
Temperature: 1.300000
Total energy: -80.746691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.746691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.746691 (E_RNA)
where:
Base-Base interactions energy: -32.815
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.155
local terms energy: -47.776457
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -65.879035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.879035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.879035 (E_RNA)
where:
Base-Base interactions energy: -23.656
where: short stacking energy: -21.411
Base-Backbone interact. energy: -0.097
local terms energy: -42.125496
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -228.301371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.301371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.301371 (E_RNA)
where:
Base-Base interactions energy: -157.924
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.016
local terms energy: -70.361712
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -225.045424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.045424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.045424 (E_RNA)
where:
Base-Base interactions energy: -148.698
where: short stacking energy: -71.035
Base-Backbone interact. energy: -2.428
local terms energy: -73.919969
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -211.043183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.043183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.043183 (E_RNA)
where:
Base-Base interactions energy: -136.546
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.209
local terms energy: -74.288190
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -212.880495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.880495 (E_RNA)
where:
Base-Base interactions energy: -135.244
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.081
local terms energy: -77.555578
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -19.417
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: 150
Temperature: 1.100000
Total energy: -199.678687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.678687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.678687 (E_RNA)
where:
Base-Base interactions energy: -130.240
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.073
local terms energy: -69.364953
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -159.658160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.658160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.658160 (E_RNA)
where:
Base-Base interactions energy: -105.119
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.021
local terms energy: -54.518219
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -157.624258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.624258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.624258 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.159
local terms energy: -58.904497
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -142.460748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.460748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.460748 (E_RNA)
where:
Base-Base interactions energy: -83.261
where: short stacking energy: -36.242
Base-Backbone interact. energy: -0.286
local terms energy: -58.913898
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -83.152466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.152466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.152466 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -28.553
Base-Backbone interact. energy: 2.349
local terms energy: -54.474629
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -1.923
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -71.790483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.790483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.790483 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -20.338
Base-Backbone interact. energy: -0.111
local terms energy: -42.364339
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -226.361748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361748 (E_RNA)
where:
Base-Base interactions energy: -153.342
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.198
local terms energy: -72.821100
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -225.791746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.791746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.791746 (E_RNA)
where:
Base-Base interactions energy: -152.258
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.009
local terms energy: -73.524300
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -221.353720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.353720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.353720 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.108
local terms energy: -75.818105
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -18.449
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: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -212.899593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.899593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.899593 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.002
local terms energy: -76.928789
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -209.651568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651568 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.049
local terms energy: -70.742026
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -6.910
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: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -193.721579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.721579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.721579 (E_RNA)
where:
Base-Base interactions energy: -124.637
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.011
local terms energy: -69.074114
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -152.008033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.008033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.008033 (E_RNA)
where:
Base-Base interactions energy: -96.334
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.430
local terms energy: -55.244535
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -8.163
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: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -141.862963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.862963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.862963 (E_RNA)
where:
Base-Base interactions energy: -90.351
where: short stacking energy: -44.263
Base-Backbone interact. energy: -0.789
local terms energy: -50.722558
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -84.698645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.698645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.698645 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.601
local terms energy: -48.935437
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -3.229
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: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -81.071795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.071795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.071795 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -18.693
Base-Backbone interact. energy: -0.464
local terms energy: -43.359141
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: 3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -233.236806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.236806 (E_RNA)
where:
Base-Base interactions energy: -159.822
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.001
local terms energy: -73.414338
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -225.871302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871302 (E_RNA)
where:
Base-Base interactions energy: -149.713
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.297
local terms energy: -75.860833
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -234.711173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.711173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.711173 (E_RNA)
where:
Base-Base interactions energy: -164.839
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.023
local terms energy: -69.848514
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -210.306121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.306121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.306121 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.137
local terms energy: -75.712163
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.994
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -200.661151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.661151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.661151 (E_RNA)
where:
Base-Base interactions energy: -133.082
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.104
local terms energy: -67.474975
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.472
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: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -190.401912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.401912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.401912 (E_RNA)
where:
Base-Base interactions energy: -131.523
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.067
local terms energy: -58.811602
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -147.495557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.495557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.495557 (E_RNA)
where:
Base-Base interactions energy: -85.201
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.219
local terms energy: -62.075883
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -5.168
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: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -143.949716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.949716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.949716 (E_RNA)
where:
Base-Base interactions energy: -83.304
where: short stacking energy: -36.104
Base-Backbone interact. energy: -1.111
local terms energy: -59.534436
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -91.836735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.836735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.836735 (E_RNA)
where:
Base-Base interactions energy: -40.967
where: short stacking energy: -34.367
Base-Backbone interact. energy: -1.151
local terms energy: -49.718171
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -72.973020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.973020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.973020 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -20.841
Base-Backbone interact. energy: 0.826
local terms energy: -43.333081
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -242.990156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.990156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.990156 (E_RNA)
where:
Base-Base interactions energy: -170.032
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.004
local terms energy: -72.953881
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -19.975
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: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -221.011885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011885 (E_RNA)
where:
Base-Base interactions energy: -141.737
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.055
local terms energy: -79.219909
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -14.043
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: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -224.999045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999045 (E_RNA)
where:
Base-Base interactions energy: -152.261
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.011
local terms energy: -72.726635
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -218.460755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.460755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.460755 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -64.004
Base-Backbone interact. energy: -0.037
local terms energy: -68.978995
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -8.827
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: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -211.107003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.107003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.107003 (E_RNA)
where:
Base-Base interactions energy: -134.151
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.024
local terms energy: -76.931481
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.664
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -199.777920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.777920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.777920 (E_RNA)
where:
Base-Base interactions energy: -131.162
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.013
local terms energy: -68.603173
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -144.808709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.808709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.808709 (E_RNA)
where:
Base-Base interactions energy: -86.162
where: short stacking energy: -36.775
Base-Backbone interact. energy: -1.038
local terms energy: -57.608593
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -140.403900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.403900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.403900 (E_RNA)
where:
Base-Base interactions energy: -82.636
where: short stacking energy: -40.499
Base-Backbone interact. energy: 0.601
local terms energy: -58.369357
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -82.011277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011277 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -23.066
Base-Backbone interact. energy: 0.280
local terms energy: -53.918934
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -5.238
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: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -69.873076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.873076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.873076 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.068
local terms energy: -40.308114
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -7.891
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -0.378
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -221.610876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.610876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.610876 (E_RNA)
where:
Base-Base interactions energy: -151.461
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.547
local terms energy: -69.602804
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -227.545594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.545594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.545594 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.015
local terms energy: -78.025554
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -220.918431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918431 (E_RNA)
where:
Base-Base interactions energy: -146.272
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.189
local terms energy: -74.457112
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -19.698
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: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -214.618689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.618689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.618689 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.144
local terms energy: -78.601994
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -201.296511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.296511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.296511 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -58.714
Base-Backbone interact. energy: -0.008
local terms energy: -70.017168
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.686
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: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -213.025926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025926 (E_RNA)
where:
Base-Base interactions energy: -145.128
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.411
local terms energy: -67.486896
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -143.038367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.038367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.038367 (E_RNA)
where:
Base-Base interactions energy: -87.689
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.586
local terms energy: -54.762808
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -162.877668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.877668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.877668 (E_RNA)
where:
Base-Base interactions energy: -90.947
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.173
local terms energy: -71.756835
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -82.480138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.480138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.480138 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -30.079
Base-Backbone interact. energy: -0.028
local terms energy: -46.692053
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -3.357
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -95.081631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081631 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.125
local terms energy: -44.026256
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -233.458328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.458328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.458328 (E_RNA)
where:
Base-Base interactions energy: -152.921
where: short stacking energy: -70.387
Base-Backbone interact. energy: -2.128
local terms energy: -78.408699
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.311
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: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -219.691982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.691982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.691982 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.754
local terms energy: -77.909668
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -214.089263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.089263 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.015
local terms energy: -74.415603
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.644
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -208.831120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831120 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.553
local terms energy: -68.930880
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -202.812928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.812928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.812928 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.021
local terms energy: -65.110066
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -197.241400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241400 (E_RNA)
where:
Base-Base interactions energy: -127.292
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.030
local terms energy: -69.919361
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -151.219970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.219970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.219970 (E_RNA)
where:
Base-Base interactions energy: -89.193
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.041
local terms energy: -61.985714
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -11.873
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: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -141.990026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.990026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.990026 (E_RNA)
where:
Base-Base interactions energy: -88.962
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.131
local terms energy: -52.897421
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -73.677977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677977 (E_RNA)
where:
Base-Base interactions energy: -18.069
where: short stacking energy: -18.069
Base-Backbone interact. energy: 0.716
local terms energy: -56.325407
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -80.097464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.097464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.097464 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -24.206
Base-Backbone interact. energy: -0.077
local terms energy: -55.814992
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -235.083054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.083054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.083054 (E_RNA)
where:
Base-Base interactions energy: -153.187
where: short stacking energy: -72.523
Base-Backbone interact. energy: -0.007
local terms energy: -81.889021
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -225.333036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.333036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.333036 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -70.154
Base-Backbone interact. energy: 0.544
local terms energy: -78.951188
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -19.843
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: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -228.379726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.379726 (E_RNA)
where:
Base-Base interactions energy: -153.001
where: short stacking energy: -63.457
Base-Backbone interact. energy: -1.441
local terms energy: -73.937832
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -205.314877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.314877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.314877 (E_RNA)
where:
Base-Base interactions energy: -137.845
where: short stacking energy: -59.059
Base-Backbone interact. energy: 0.460
local terms energy: -67.929471
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -14.503
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: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -205.287354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287354 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -64.848
Base-Backbone interact. energy: -1.147
local terms energy: -69.556574
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -8.955
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: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -195.234385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.234385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.234385 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.406
local terms energy: -64.560142
where:
bonds (distance) C4'-P energy: -7.093
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -19.148
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -155.533671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.533671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.533671 (E_RNA)
where:
Base-Base interactions energy: -91.855
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.284
local terms energy: -63.394766
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -11.107
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: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -150.961700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.961700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.961700 (E_RNA)
where:
Base-Base interactions energy: -87.500
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.170
local terms energy: -63.291185
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -90.816078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.816078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.816078 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.785
local terms energy: -52.086795
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -77.443974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443974 (E_RNA)
where:
Base-Base interactions energy: -25.821
where: short stacking energy: -25.277
Base-Backbone interact. energy: -1.005
local terms energy: -50.618267
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -234.666593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.666593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.666593 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.623
local terms energy: -80.592607
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -227.692710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.692710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.692710 (E_RNA)
where:
Base-Base interactions energy: -151.682
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.030
local terms energy: -75.980989
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.776
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: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -223.753555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753555 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.000
local terms energy: -75.451228
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -208.244895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.244895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.244895 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.140
local terms energy: -75.234378
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -211.947952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.947952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.947952 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.462
local terms energy: -74.191185
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.062
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: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -195.968642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968642 (E_RNA)
where:
Base-Base interactions energy: -131.725
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.031
local terms energy: -64.212195
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -14.762
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -167.270618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.270618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.270618 (E_RNA)
where:
Base-Base interactions energy: -100.616
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.291
local terms energy: -66.363780
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -154.930265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.930265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.930265 (E_RNA)
where:
Base-Base interactions energy: -102.789
where: short stacking energy: -42.625
Base-Backbone interact. energy: -1.307
local terms energy: -50.833792
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.106725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.106725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.106725 (E_RNA)
where:
Base-Base interactions energy: -28.861
where: short stacking energy: -26.093
Base-Backbone interact. energy: 0.245
local terms energy: -47.491180
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -75.626546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.626546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.626546 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -27.584
Base-Backbone interact. energy: 0.812
local terms energy: -47.878384
where:
bonds (distance) C4'-P energy: -6.867
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -5.679
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: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -228.502004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.502004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.502004 (E_RNA)
where:
Base-Base interactions energy: -157.803
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.006
local terms energy: -70.693038
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -18.363
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -223.432831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.432831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432831 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.011
local terms energy: -75.237940
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -205.346012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346012 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.032
local terms energy: -70.089853
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -211.003681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.003681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.003681 (E_RNA)
where:
Base-Base interactions energy: -138.671
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.007
local terms energy: -72.325748
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -214.798818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.798818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.798818 (E_RNA)
where:
Base-Base interactions energy: -148.925
where: short stacking energy: -62.923
Base-Backbone interact. energy: -1.463
local terms energy: -64.410980
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -206.021621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.021621 (E_RNA)
where:
Base-Base interactions energy: -134.764
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.711
local terms energy: -70.546323
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -16.831
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: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -153.396157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.396157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.396157 (E_RNA)
where:
Base-Base interactions energy: -91.372
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.203
local terms energy: -61.820402
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -10.880
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: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -162.269807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.269807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.269807 (E_RNA)
where:
Base-Base interactions energy: -104.309
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.073
local terms energy: -57.887808
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -92.206447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.206447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.206447 (E_RNA)
where:
Base-Base interactions energy: -54.346
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.700
local terms energy: -37.160588
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -77.652825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652825 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -27.556
Base-Backbone interact. energy: -0.330
local terms energy: -39.858891
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -226.279906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.279906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.279906 (E_RNA)
where:
Base-Base interactions energy: -152.972
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.020
local terms energy: -73.287798
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -216.648997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648997 (E_RNA)
where:
Base-Base interactions energy: -142.792
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.246
local terms energy: -73.610964
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -215.173853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173853 (E_RNA)
where:
Base-Base interactions energy: -145.480
where: short stacking energy: -60.273
Base-Backbone interact. energy: 0.734
local terms energy: -70.427812
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -226.184863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.184863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.184863 (E_RNA)
where:
Base-Base interactions energy: -157.479
where: short stacking energy: -70.775
Base-Backbone interact. energy: -0.001
local terms energy: -68.705259
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -20.161
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: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -203.020459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.020459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020459 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -62.026
Base-Backbone interact. energy: 0.759
local terms energy: -66.050579
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -13.266
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: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -202.987747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.987747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.987747 (E_RNA)
where:
Base-Base interactions energy: -134.475
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.470
local terms energy: -68.042574
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -15.019
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -158.222460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.222460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.222460 (E_RNA)
where:
Base-Base interactions energy: -99.131
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.043
local terms energy: -59.048576
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -162.991305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.991305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.991305 (E_RNA)
where:
Base-Base interactions energy: -102.172
where: short stacking energy: -40.366
Base-Backbone interact. energy: -0.339
local terms energy: -60.480670
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -79.950078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950078 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -31.452
Base-Backbone interact. energy: 0.261
local terms energy: -48.145119
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -3.183
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: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -74.239212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.239212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.239212 (E_RNA)
where:
Base-Base interactions energy: -25.871
where: short stacking energy: -19.146
Base-Backbone interact. energy: -0.207
local terms energy: -48.160941
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: 3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -217.599078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599078 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.047
local terms energy: -75.960400
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -222.675764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.675764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.675764 (E_RNA)
where:
Base-Base interactions energy: -146.414
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.001
local terms energy: -76.260922
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -18.201
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: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -223.991761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991761 (E_RNA)
where:
Base-Base interactions energy: -148.584
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.003
local terms energy: -75.405183
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -208.094380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.094380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.094380 (E_RNA)
where:
Base-Base interactions energy: -141.779
where: short stacking energy: -69.003
Base-Backbone interact. energy: 1.111
local terms energy: -67.426324
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.706
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: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -211.733237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.733237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.733237 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -61.956
Base-Backbone interact. energy: -0.313
local terms energy: -64.751213
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -206.609782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.609782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.609782 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.843
local terms energy: -61.039256
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.445
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: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -169.932812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.932812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.932812 (E_RNA)
where:
Base-Base interactions energy: -113.270
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.106
local terms energy: -56.556506
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -147.766380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.766380 (E_RNA)
where:
Base-Base interactions energy: -92.035
where: short stacking energy: -42.876
Base-Backbone interact. energy: -0.158
local terms energy: -55.573610
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -85.631514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.631514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.631514 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.245
local terms energy: -44.208574
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -74.657897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.657897 (E_RNA)
where:
Base-Base interactions energy: -28.459
where: short stacking energy: -25.734
Base-Backbone interact. energy: 0.724
local terms energy: -46.923026
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -226.404626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.404626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.404626 (E_RNA)
where:
Base-Base interactions energy: -152.499
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.203
local terms energy: -73.702639
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -225.363801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.363801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.363801 (E_RNA)
where:
Base-Base interactions energy: -153.956
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.009
local terms energy: -71.398474
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -208.956252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.956252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.956252 (E_RNA)
where:
Base-Base interactions energy: -133.736
where: short stacking energy: -62.112
Base-Backbone interact. energy: -0.076
local terms energy: -75.144367
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -16.871
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: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -218.927330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.927330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.927330 (E_RNA)
where:
Base-Base interactions energy: -152.272
where: short stacking energy: -60.874
Base-Backbone interact. energy: -0.017
local terms energy: -66.637990
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -16.694
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: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -208.229256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.229256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.229256 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.003
local terms energy: -74.151740
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -201.227203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.227203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.227203 (E_RNA)
where:
Base-Base interactions energy: -133.599
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.471
local terms energy: -67.156910
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -159.985113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.985113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.985113 (E_RNA)
where:
Base-Base interactions energy: -100.793
where: short stacking energy: -43.031
Base-Backbone interact. energy: -0.259
local terms energy: -58.933383
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -7.744
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -83.930514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.930514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.930514 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -24.929
Base-Backbone interact. energy: -0.202
local terms energy: -48.653306
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -1.335
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: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -150.960454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.960454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.960454 (E_RNA)
where:
Base-Base interactions energy: -99.944
where: short stacking energy: -48.138
Base-Backbone interact. energy: 1.568
local terms energy: -52.583961
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -7.628
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: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -75.940381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.940381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.940381 (E_RNA)
where:
Base-Base interactions energy: -30.813
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.282
local terms energy: -44.845389
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -240.473437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.473437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.473437 (E_RNA)
where:
Base-Base interactions energy: -160.168
where: short stacking energy: -74.796
Base-Backbone interact. energy: -0.004
local terms energy: -80.300994
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -219.092716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.092716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.092716 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.021
local terms energy: -73.916732
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -9.507
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: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -222.224062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.224062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.224062 (E_RNA)
where:
Base-Base interactions energy: -155.386
where: short stacking energy: -69.016
Base-Backbone interact. energy: 0.097
local terms energy: -66.935309
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -216.896369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896369 (E_RNA)
where:
Base-Base interactions energy: -144.864
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.632
local terms energy: -71.401050
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -224.874810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.874810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.874810 (E_RNA)
where:
Base-Base interactions energy: -152.300
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.609
local terms energy: -71.965751
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -21.052
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: 162
Temperature: 1.150000
Total energy: -208.421999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.421999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.421999 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.004
local terms energy: -76.056493
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -89.221709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221709 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.109
local terms energy: -55.761435
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.937
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: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -153.876210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.876210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.876210 (E_RNA)
where:
Base-Base interactions energy: -87.138
where: short stacking energy: -42.573
Base-Backbone interact. energy: -0.158
local terms energy: -66.580118
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -141.109579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.109579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.109579 (E_RNA)
where:
Base-Base interactions energy: -89.560
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.517
local terms energy: -51.033103
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -75.010012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.010012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.010012 (E_RNA)
where:
Base-Base interactions energy: -26.543
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.203
local terms energy: -48.264451
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -230.611003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.611003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.611003 (E_RNA)
where:
Base-Base interactions energy: -155.320
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.015
local terms energy: -75.276253
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.283543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283543 (E_RNA)
where:
Base-Base interactions energy: -151.262
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.003
local terms energy: -75.018990
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -226.990550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.990550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.990550 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.006
local terms energy: -69.182186
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -191.197124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.197124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.197124 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -44.932
Base-Backbone interact. energy: -1.042
local terms energy: -63.068516
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -7.125
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -216.809396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.809396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809396 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.002
local terms energy: -73.051658
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -197.743624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.743624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743624 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -58.408
Base-Backbone interact. energy: 1.145
local terms energy: -59.503005
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -94.676344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.676344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.676344 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -43.740
Base-Backbone interact. energy: -0.098
local terms energy: -48.576337
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -143.461016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.461016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.461016 (E_RNA)
where:
Base-Base interactions energy: -88.768
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.050
local terms energy: -54.642302
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -134.761378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.761378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.761378 (E_RNA)
where:
Base-Base interactions energy: -79.219
where: short stacking energy: -39.120
Base-Backbone interact. energy: -0.305
local terms energy: -55.237753
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -73.339489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.339489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.339489 (E_RNA)
where:
Base-Base interactions energy: -20.441
where: short stacking energy: -20.441
Base-Backbone interact. energy: -0.141
local terms energy: -52.757888
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: 2.396
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -220.198196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.198196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.198196 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.008
local terms energy: -77.039447
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -230.931968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.931968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.931968 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.001
local terms energy: -75.335147
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -221.875008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.875008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.875008 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.150
local terms energy: -75.083169
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -17.164
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: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -210.939234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.939234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.939234 (E_RNA)
where:
Base-Base interactions energy: -146.729
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.270
local terms energy: -63.939298
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -15.304
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: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -206.863948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863948 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.303
local terms energy: -69.189704
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -5.458
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: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -202.544291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.544291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.544291 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.036
local terms energy: -71.645098
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -17.917
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: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -145.292295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.292295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.292295 (E_RNA)
where:
Base-Base interactions energy: -86.645
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.037
local terms energy: -58.610470
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.865
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -77.841946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.841946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.841946 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -23.408
Base-Backbone interact. energy: 1.185
local terms energy: -48.260241
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: 1.825
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: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -141.645453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.645453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.645453 (E_RNA)
where:
Base-Base interactions energy: -86.140
where: short stacking energy: -44.108
Base-Backbone interact. energy: -0.169
local terms energy: -55.336436
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -75.059691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.059691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.059691 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -20.327
Base-Backbone interact. energy: -0.206
local terms energy: -48.228308
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -236.232054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.232054 (E_RNA)
where:
Base-Base interactions energy: -161.104
where: short stacking energy: -74.640
Base-Backbone interact. energy: 0.114
local terms energy: -75.241915
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -232.666955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.666955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.666955 (E_RNA)
where:
Base-Base interactions energy: -156.283
where: short stacking energy: -68.426
Base-Backbone interact. energy: -0.061
local terms energy: -76.322758
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -12.202
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: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -210.574469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.574469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.574469 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -62.302
Base-Backbone interact. energy: 0.448
local terms energy: -64.188905
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -205.236628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.236628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.236628 (E_RNA)
where:
Base-Base interactions energy: -135.756
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.797
local terms energy: -68.683410
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -6.494
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: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -204.697241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.697241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697241 (E_RNA)
where:
Base-Base interactions energy: -136.987
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.174
local terms energy: -67.536514
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -209.945390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.945390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.945390 (E_RNA)
where:
Base-Base interactions energy: -143.009
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.013
local terms energy: -66.923632
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -152.194097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.194097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.194097 (E_RNA)
where:
Base-Base interactions energy: -84.804
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.097
local terms energy: -67.292546
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -10.271
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: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -142.055992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.055992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.055992 (E_RNA)
where:
Base-Base interactions energy: -85.551
where: short stacking energy: -46.136
Base-Backbone interact. energy: -0.302
local terms energy: -56.203233
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -77.521463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.521463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.521463 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -30.755
Base-Backbone interact. energy: 1.815
local terms energy: -45.069668
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: 0.817
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: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -69.010182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.010182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.010182 (E_RNA)
where:
Base-Base interactions energy: -25.670
where: short stacking energy: -19.171
Base-Backbone interact. energy: -0.956
local terms energy: -42.384179
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -6.748
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -234.420067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.420067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.420067 (E_RNA)
where:
Base-Base interactions energy: -159.561
where: short stacking energy: -71.355
Base-Backbone interact. energy: -0.012
local terms energy: -74.847115
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -236.181654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.181654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.181654 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.021
local terms energy: -78.245228
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.817
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: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -206.683907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.683907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.683907 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.000
local terms energy: -69.139433
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -211.683614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.683614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.683614 (E_RNA)
where:
Base-Base interactions energy: -143.379
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.122
local terms energy: -68.182536
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -225.065083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.065083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.065083 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.005
local terms energy: -72.135265
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -208.676658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.676658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.676658 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -66.063
Base-Backbone interact. energy: 0.984
local terms energy: -66.877648
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -150.596980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.596980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.596980 (E_RNA)
where:
Base-Base interactions energy: -98.590
where: short stacking energy: -42.428
Base-Backbone interact. energy: 0.366
local terms energy: -52.373224
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -9.502
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: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -142.318884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.318884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.318884 (E_RNA)
where:
Base-Base interactions energy: -79.230
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.073
local terms energy: -63.015921
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -77.101231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101231 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -19.661
Base-Backbone interact. energy: -0.304
local terms energy: -47.437612
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.494349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.494349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.494349 (E_RNA)
where:
Base-Base interactions energy: -25.871
where: short stacking energy: -21.979
Base-Backbone interact. energy: 0.387
local terms energy: -56.010943
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -240.336918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.336918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.336918 (E_RNA)
where:
Base-Base interactions energy: -157.851
where: short stacking energy: -73.214
Base-Backbone interact. energy: -1.985
local terms energy: -80.501072
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.934
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: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -220.625693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.625693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.625693 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.693
local terms energy: -64.974792
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -220.700392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700392 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.045
local terms energy: -81.798836
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -215.935107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.935107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.935107 (E_RNA)
where:
Base-Base interactions energy: -144.850
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.136
local terms energy: -70.948534
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -203.370636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.370636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.370636 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -61.092
Base-Backbone interact. energy: 0.625
local terms energy: -71.667379
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.861
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -202.307078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.307078 (E_RNA)
where:
Base-Base interactions energy: -138.198
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.225
local terms energy: -63.883779
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -148.628061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.628061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.628061 (E_RNA)
where:
Base-Base interactions energy: -91.020
where: short stacking energy: -45.214
Base-Backbone interact. energy: -0.058
local terms energy: -57.549571
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -5.364
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: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -81.351994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.351994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.351994 (E_RNA)
where:
Base-Base interactions energy: -34.606
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.201
local terms energy: -46.544600
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -1.672
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -159.462065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.462065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.462065 (E_RNA)
where:
Base-Base interactions energy: -106.416
where: short stacking energy: -34.158
Base-Backbone interact. energy: 0.395
local terms energy: -53.440887
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -74.826434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.826434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.826434 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.227
local terms energy: -43.727287
where:
bonds (distance) C4'-P energy: -3.852
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -222.965752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.965752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.965752 (E_RNA)
where:
Base-Base interactions energy: -148.545
where: short stacking energy: -70.875
Base-Backbone interact. energy: -0.004
local terms energy: -74.417117
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -17.014
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: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -233.475187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.475187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.475187 (E_RNA)
where:
Base-Base interactions energy: -157.333
where: short stacking energy: -65.067
Base-Backbone interact. energy: -1.304
local terms energy: -74.837903
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -223.981768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.981768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.981768 (E_RNA)
where:
Base-Base interactions energy: -151.856
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.003
local terms energy: -72.122616
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -215.891521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.891521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.891521 (E_RNA)
where:
Base-Base interactions energy: -145.145
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.107
local terms energy: -70.638995
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -219.056654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056654 (E_RNA)
where:
Base-Base interactions energy: -150.015
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.001
local terms energy: -69.041195
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -199.706836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706836 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.006
local terms energy: -69.822832
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -17.906
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -152.651841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.651841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.651841 (E_RNA)
where:
Base-Base interactions energy: -85.466
where: short stacking energy: -42.164
Base-Backbone interact. energy: -0.017
local terms energy: -67.168912
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.648
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: 168
Temperature: 1.250000
Total energy: -91.118148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.118148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.118148 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.164
local terms energy: -58.616919
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -133.397231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.397231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.397231 (E_RNA)
where:
Base-Base interactions energy: -81.715
where: short stacking energy: -39.604
Base-Backbone interact. energy: -2.156
local terms energy: -49.526105
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -3.761
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: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -74.325358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.325358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.325358 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -21.785
Base-Backbone interact. energy: 0.150
local terms energy: -47.438694
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -218.094854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.094854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.094854 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.331
local terms energy: -74.264362
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -237.256742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.256742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.256742 (E_RNA)
where:
Base-Base interactions energy: -163.829
where: short stacking energy: -63.218
Base-Backbone interact. energy: -0.104
local terms energy: -73.323843
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.408
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: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -222.229007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229007 (E_RNA)
where:
Base-Base interactions energy: -145.361
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.000
local terms energy: -76.867571
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -20.754
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -208.323367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.323367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.323367 (E_RNA)
where:
Base-Base interactions energy: -141.875
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.042
local terms energy: -66.406112
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -206.304916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.304916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.304916 (E_RNA)
where:
Base-Base interactions energy: -140.267
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.245
local terms energy: -65.793126
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -18.413
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: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -204.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.105987 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.002
local terms energy: -69.301478
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -156.273851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.273851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.273851 (E_RNA)
where:
Base-Base interactions energy: -104.507
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.160
local terms energy: -51.606708
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -153.153744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.153744 (E_RNA)
where:
Base-Base interactions energy: -94.042
where: short stacking energy: -45.854
Base-Backbone interact. energy: -1.427
local terms energy: -57.685451
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -9.694
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.071920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.071920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.071920 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -26.891
Base-Backbone interact. energy: 2.604
local terms energy: -51.871324
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -85.062458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062458 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.177
local terms energy: -54.819671
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -221.112293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.112293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112293 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -68.466
Base-Backbone interact. energy: 0.061
local terms energy: -76.193855
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.622
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: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -232.139702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.139702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.139702 (E_RNA)
where:
Base-Base interactions energy: -157.764
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.194
local terms energy: -74.181199
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -224.725543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.725543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.725543 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -70.314
Base-Backbone interact. energy: -0.002
local terms energy: -74.605775
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.680
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -208.832667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832667 (E_RNA)
where:
Base-Base interactions energy: -140.226
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.659
local terms energy: -67.947946
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.691
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: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -202.122735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.122735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.122735 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.787
local terms energy: -68.779570
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -206.580025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.580025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.580025 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -57.247
Base-Backbone interact. energy: -1.380
local terms energy: -70.322612
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -15.049
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -173.537430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.537430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.537430 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -50.255
Base-Backbone interact. energy: -0.526
local terms energy: -58.720650
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -146.464802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.464802 (E_RNA)
where:
Base-Base interactions energy: -87.092
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.087
local terms energy: -59.285689
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -10.583
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: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -83.136576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136576 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.045
local terms energy: -53.184954
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -77.785315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.785315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.785315 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -25.789
Base-Backbone interact. energy: -2.279
local terms energy: -36.659160
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -218.739639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739639 (E_RNA)
where:
Base-Base interactions energy: -144.945
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.087
local terms energy: -73.708375
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -219.057799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.057799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.057799 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.305
local terms energy: -79.590068
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -21.682
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: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -218.808413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808413 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.102
local terms energy: -74.762776
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -211.085822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.085822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.085822 (E_RNA)
where:
Base-Base interactions energy: -142.874
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.182
local terms energy: -68.029695
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -19.548
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: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -205.251587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.251587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.251587 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.014
local terms energy: -76.095827
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -208.551789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.551789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.551789 (E_RNA)
where:
Base-Base interactions energy: -141.551
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.039
local terms energy: -66.962589
where:
bonds (distance) C4'-P energy: -6.592
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -10.311
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: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -159.478116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.478116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.478116 (E_RNA)
where:
Base-Base interactions energy: -101.976
where: short stacking energy: -46.963
Base-Backbone interact. energy: -1.216
local terms energy: -56.285453
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -13.590
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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -147.372489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.372489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.372489 (E_RNA)
where:
Base-Base interactions energy: -89.761
where: short stacking energy: -49.759
Base-Backbone interact. energy: -0.003
local terms energy: -57.608539
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -9.906
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: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -78.512212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512212 (E_RNA)
where:
Base-Base interactions energy: -27.549
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.195
local terms energy: -50.768378
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.807743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.807743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.807743 (E_RNA)
where:
Base-Base interactions energy: -42.866
where: short stacking energy: -26.252
Base-Backbone interact. energy: 0.075
local terms energy: -34.015767
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: 0.674
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -222.331079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.331079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.331079 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.084
local terms energy: -75.908332
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.023
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: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -213.977299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.977299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.977299 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.883
local terms energy: -78.194687
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -14.654
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: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -221.994260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.994260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.994260 (E_RNA)
where:
Base-Base interactions energy: -151.936
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.098
local terms energy: -69.959508
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -214.544838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.544838 (E_RNA)
where:
Base-Base interactions energy: -136.078
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.673
local terms energy: -77.793959
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -18.238
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -215.259252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259252 (E_RNA)
where:
Base-Base interactions energy: -137.853
where: short stacking energy: -58.927
Base-Backbone interact. energy: -0.009
local terms energy: -77.396895
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.044
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: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -203.124961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.124961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.124961 (E_RNA)
where:
Base-Base interactions energy: -126.629
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.145
local terms energy: -76.351079
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -9.594
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: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -154.907330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.907330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.907330 (E_RNA)
where:
Base-Base interactions energy: -91.550
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.069
local terms energy: -63.288410
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.606
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: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -182.014222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.014222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.014222 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.052
local terms energy: -57.843925
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -78.069481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.069481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.069481 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.143
local terms energy: -46.966037
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -72.174445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.174445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.174445 (E_RNA)
where:
Base-Base interactions energy: -33.187
where: short stacking energy: -33.187
Base-Backbone interact. energy: -0.067
local terms energy: -38.920649
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: -0.983
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: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -229.397824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.397824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.397824 (E_RNA)
where:
Base-Base interactions energy: -144.995
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.013
local terms energy: -84.389886
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -216.414065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.414065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.414065 (E_RNA)
where:
Base-Base interactions energy: -147.534
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.096
local terms energy: -68.784442
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -16.390
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: 173
Temperature: 1.000000
Total energy: -223.644954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.644954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.644954 (E_RNA)
where:
Base-Base interactions energy: -149.092
where: short stacking energy: -62.617
Base-Backbone interact. energy: -0.144
local terms energy: -74.408520
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -221.603504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.603504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.603504 (E_RNA)
where:
Base-Base interactions energy: -146.651
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.072
local terms energy: -74.880139
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -204.735751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.735751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.735751 (E_RNA)
where:
Base-Base interactions energy: -131.531
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.124
local terms energy: -73.080686
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -204.176123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.176123 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.244
local terms energy: -70.437031
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -10.059
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -157.056334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.056334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.056334 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.260
local terms energy: -64.533497
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -7.496
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: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -173.176951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.176951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.176951 (E_RNA)
where:
Base-Base interactions energy: -114.769
where: short stacking energy: -47.749
Base-Backbone interact. energy: 1.059
local terms energy: -59.467776
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -73.046645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.046645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.046645 (E_RNA)
where:
Base-Base interactions energy: -25.403
where: short stacking energy: -16.317
Base-Backbone interact. energy: -0.438
local terms energy: -47.205323
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -68.787919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.787919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.787919 (E_RNA)
where:
Base-Base interactions energy: -28.000
where: short stacking energy: -25.988
Base-Backbone interact. energy: 0.071
local terms energy: -40.859402
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: 0.946
tors. eta vs tors. theta energy: -2.672
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: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -229.017572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017572 (E_RNA)
where:
Base-Base interactions energy: -159.655
where: short stacking energy: -70.977
Base-Backbone interact. energy: -0.069
local terms energy: -69.293891
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -7.050
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: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -220.566245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.566245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.566245 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.009
local terms energy: -75.661529
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -18.505
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: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -222.207995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.207995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.207995 (E_RNA)
where:
Base-Base interactions energy: -148.256
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.148
local terms energy: -73.804538
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -211.404934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.404934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.404934 (E_RNA)
where:
Base-Base interactions energy: -137.218
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.697
local terms energy: -73.490502
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -18.253
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: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -208.798351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.798351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.798351 (E_RNA)
where:
Base-Base interactions energy: -140.192
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.083
local terms energy: -68.523051
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -196.917517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917517 (E_RNA)
where:
Base-Base interactions energy: -129.824
where: short stacking energy: -49.262
Base-Backbone interact. energy: -1.123
local terms energy: -65.969906
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.453
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: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -151.867515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.867515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.867515 (E_RNA)
where:
Base-Base interactions energy: -89.136
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.232
local terms energy: -62.500104
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -10.598
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: 174
Temperature: 1.250000
Total energy: -146.443078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.443078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.443078 (E_RNA)
where:
Base-Base interactions energy: -81.801
where: short stacking energy: -40.794
Base-Backbone interact. energy: -0.064
local terms energy: -64.578109
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -86.580848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.580848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.580848 (E_RNA)
where:
Base-Base interactions energy: -25.160
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.093
local terms energy: -61.328509
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.490598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.490598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.490598 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.091
local terms energy: -43.673636
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -233.724705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.724705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.724705 (E_RNA)
where:
Base-Base interactions energy: -158.663
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.026
local terms energy: -75.035802
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -22.078
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: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -211.921033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.921033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.921033 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.031
local terms energy: -73.420061
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -219.364420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364420 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.219
local terms energy: -69.383953
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -219.572763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.572763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.572763 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.012
local terms energy: -73.112783
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -209.940784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.940784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940784 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.015
local terms energy: -67.847718
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -10.874
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: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -197.936060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.936060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.936060 (E_RNA)
where:
Base-Base interactions energy: -133.594
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.002
local terms energy: -64.340574
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -151.414490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.414490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.414490 (E_RNA)
where:
Base-Base interactions energy: -89.012
where: short stacking energy: -47.359
Base-Backbone interact. energy: 0.871
local terms energy: -63.273266
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -143.359218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.359218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.359218 (E_RNA)
where:
Base-Base interactions energy: -79.607
where: short stacking energy: -38.055
Base-Backbone interact. energy: -1.511
local terms energy: -62.241294
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -10.904
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: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -76.039931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.039931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.039931 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -28.969
Base-Backbone interact. energy: -0.222
local terms energy: -44.702203
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -0.804
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: 175
Temperature: 1.350000
Total energy: -74.699957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.699957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.699957 (E_RNA)
where:
Base-Base interactions energy: -23.231
where: short stacking energy: -16.647
Base-Backbone interact. energy: 1.378
local terms energy: -52.847098
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -238.447959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.447959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.447959 (E_RNA)
where:
Base-Base interactions energy: -158.350
where: short stacking energy: -72.581
Base-Backbone interact. energy: -2.304
local terms energy: -77.793431
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -218.553539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.553539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.553539 (E_RNA)
where:
Base-Base interactions energy: -151.526
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.016
local terms energy: -67.011430
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -7.659
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.006
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: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -219.396242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.396242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.396242 (E_RNA)
where:
Base-Base interactions energy: -142.845
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.005
local terms energy: -76.546646
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -223.968097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.968097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.968097 (E_RNA)
where:
Base-Base interactions energy: -143.598
where: short stacking energy: -61.832
Base-Backbone interact. energy: -1.828
local terms energy: -78.542021
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -11.402
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -210.609720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.609720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.609720 (E_RNA)
where:
Base-Base interactions energy: -143.475
where: short stacking energy: -65.605
Base-Backbone interact. energy: 0.033
local terms energy: -67.168319
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -15.924
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: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -207.861074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.861074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.861074 (E_RNA)
where:
Base-Base interactions energy: -142.063
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.001
local terms energy: -65.797510
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -198.125370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.125370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.125370 (E_RNA)
where:
Base-Base interactions energy: -132.228
where: short stacking energy: -58.190
Base-Backbone interact. energy: 1.024
local terms energy: -66.921898
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -147.894366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.894366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.894366 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -46.420
Base-Backbone interact. energy: -0.167
local terms energy: -56.273581
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -79.902869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902869 (E_RNA)
where:
Base-Base interactions energy: -30.815
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.178
local terms energy: -48.910193
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -3.884
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: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -71.061598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.061598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.061598 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -22.458
Base-Backbone interact. energy: -0.588
local terms energy: -48.014936
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -3.267
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -4.163
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -235.995033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.995033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.995033 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.626
local terms energy: -79.454684
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -20.089
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -237.825592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.825592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.825592 (E_RNA)
where:
Base-Base interactions energy: -156.876
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.099
local terms energy: -80.849930
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -216.552658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.552658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.552658 (E_RNA)
where:
Base-Base interactions energy: -147.447
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.001
local terms energy: -69.104327
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -214.155234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.155234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.155234 (E_RNA)
where:
Base-Base interactions energy: -142.917
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.094
local terms energy: -71.144027
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -198.436335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.436335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.436335 (E_RNA)
where:
Base-Base interactions energy: -125.292
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.026
local terms energy: -73.117911
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -17.552
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: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -203.674789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674789 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -63.467
Base-Backbone interact. energy: -1.142
local terms energy: -68.736624
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -164.710295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.710295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.710295 (E_RNA)
where:
Base-Base interactions energy: -102.794
where: short stacking energy: -45.961
Base-Backbone interact. energy: -0.203
local terms energy: -61.713138
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -6.831
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -135.888992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.888992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.888992 (E_RNA)
where:
Base-Base interactions energy: -82.039
where: short stacking energy: -38.101
Base-Backbone interact. energy: -0.100
local terms energy: -53.749372
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -85.165027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165027 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.008
local terms energy: -51.396900
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -3.832
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: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.341714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341714 (E_RNA)
where:
Base-Base interactions energy: -33.741
where: short stacking energy: -25.849
Base-Backbone interact. energy: -0.070
local terms energy: -46.530520
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -4.686
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: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -240.668369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668369 (E_RNA)
where:
Base-Base interactions energy: -167.229
where: short stacking energy: -69.628
Base-Backbone interact. energy: -0.096
local terms energy: -73.344170
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.789
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: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -236.141960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.141960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.141960 (E_RNA)
where:
Base-Base interactions energy: -161.425
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.499
local terms energy: -74.218298
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -19.065
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: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -224.675487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.675487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.675487 (E_RNA)
where:
Base-Base interactions energy: -150.463
where: short stacking energy: -72.572
Base-Backbone interact. energy: -0.061
local terms energy: -74.152016
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -210.697453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.697453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.697453 (E_RNA)
where:
Base-Base interactions energy: -135.917
where: short stacking energy: -51.060
Base-Backbone interact. energy: -0.208
local terms energy: -74.572929
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -16.632
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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -197.060908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060908 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.351
local terms energy: -66.620319
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -13.882
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: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -183.904905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.904905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.904905 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.116
local terms energy: -53.741410
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -147.887299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.887299 (E_RNA)
where:
Base-Base interactions energy: -93.828
where: short stacking energy: -49.653
Base-Backbone interact. energy: -1.410
local terms energy: -52.648953
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -7.181
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -148.797595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.797595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.797595 (E_RNA)
where:
Base-Base interactions energy: -91.140
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.095
local terms energy: -57.562142
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -81.582657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.582657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.582657 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.034
local terms energy: -53.644838
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -76.191171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.191171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.191171 (E_RNA)
where:
Base-Base interactions energy: -26.552
where: short stacking energy: -22.363
Base-Backbone interact. energy: -0.376
local terms energy: -49.263317
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -224.189096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.189096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.189096 (E_RNA)
where:
Base-Base interactions energy: -148.762
where: short stacking energy: -59.350
Base-Backbone interact. energy: -0.045
local terms energy: -75.381785
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -231.762968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.762968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.762968 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.001
local terms energy: -80.166001
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.751
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: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -224.890035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890035 (E_RNA)
where:
Base-Base interactions energy: -160.230
where: short stacking energy: -65.617
Base-Backbone interact. energy: -0.042
local terms energy: -64.618307
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.802
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: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -202.520451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.520451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.520451 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.745
local terms energy: -75.186746
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -206.069670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069670 (E_RNA)
where:
Base-Base interactions energy: -134.950
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.005
local terms energy: -71.115051
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -187.153893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.153893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.153893 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.758
local terms energy: -64.480267
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -14.595
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -146.628003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.628003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.628003 (E_RNA)
where:
Base-Base interactions energy: -87.625
where: short stacking energy: -40.264
Base-Backbone interact. energy: 0.603
local terms energy: -59.606252
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -150.945289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.945289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.945289 (E_RNA)
where:
Base-Base interactions energy: -102.915
where: short stacking energy: -45.908
Base-Backbone interact. energy: -0.307
local terms energy: -47.723246
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -1.051
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -82.078007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.078007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.078007 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.174
local terms energy: -54.571311
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -80.699756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699756 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -27.293
Base-Backbone interact. energy: 0.560
local terms energy: -51.884884
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -237.382726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.382726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.382726 (E_RNA)
where:
Base-Base interactions energy: -158.889
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.074
local terms energy: -78.419563
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.700
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: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -214.201302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.201302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.201302 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -64.188
Base-Backbone interact. energy: -1.001
local terms energy: -69.587439
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -17.257
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: 180
Temperature: 1.000000
Total energy: -223.624613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624613 (E_RNA)
where:
Base-Base interactions energy: -140.461
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.155
local terms energy: -83.008922
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -21.626
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: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -209.603144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.603144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.603144 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.148
local terms energy: -74.985148
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -204.684023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684023 (E_RNA)
where:
Base-Base interactions energy: -135.562
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.303
local terms energy: -68.818293
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -202.407958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.407958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.407958 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.010
local terms energy: -63.685192
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -17.026
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -155.942492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.942492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.942492 (E_RNA)
where:
Base-Base interactions energy: -92.121
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.039
local terms energy: -63.782439
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -10.572
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -143.126852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.126852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.126852 (E_RNA)
where:
Base-Base interactions energy: -88.181
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.482
local terms energy: -54.464270
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -86.945059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945059 (E_RNA)
where:
Base-Base interactions energy: -36.474
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.025
local terms energy: -50.446075
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -8.763
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: 180
Temperature: 1.350000
Total energy: -84.945341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.945341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.945341 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -28.902
Base-Backbone interact. energy: 0.672
local terms energy: -50.016699
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -5.304
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: 181
Temperature: 0.900000
Total energy: -236.717929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.717929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.717929 (E_RNA)
where:
Base-Base interactions energy: -157.469
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.224
local terms energy: -79.025802
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -12.148
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: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -226.447973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447973 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.011
local terms energy: -74.538076
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -10.794
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -215.769165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.769165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.769165 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.240
local terms energy: -73.937823
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -217.458442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.458442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.458442 (E_RNA)
where:
Base-Base interactions energy: -147.944
where: short stacking energy: -66.814
Base-Backbone interact. energy: -0.018
local terms energy: -69.496501
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -197.189475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189475 (E_RNA)
where:
Base-Base interactions energy: -135.362
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.953
local terms energy: -60.874320
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -15.148
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: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -199.687930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.687930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.687930 (E_RNA)
where:
Base-Base interactions energy: -124.083
where: short stacking energy: -52.010
Base-Backbone interact. energy: -0.346
local terms energy: -75.259686
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -149.712136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712136 (E_RNA)
where:
Base-Base interactions energy: -82.928
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.174
local terms energy: -66.610207
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -142.201123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.201123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.201123 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -43.948
Base-Backbone interact. energy: 1.093
local terms energy: -56.140769
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -82.656951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656951 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -23.006
Base-Backbone interact. energy: -0.383
local terms energy: -40.713341
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -0.820
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: 181
Temperature: 1.350000
Total energy: -83.840446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.840446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.840446 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.044
local terms energy: -42.234956
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -7.365
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -233.243483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.243483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243483 (E_RNA)
where:
Base-Base interactions energy: -148.892
where: short stacking energy: -70.284
Base-Backbone interact. energy: -2.736
local terms energy: -81.615071
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -21.662
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: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -220.659668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.659668 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.603
local terms energy: -73.293739
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -226.075761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.075761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.075761 (E_RNA)
where:
Base-Base interactions energy: -152.891
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.033
local terms energy: -73.151190
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -204.367464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.367464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367464 (E_RNA)
where:
Base-Base interactions energy: -144.954
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.203
local terms energy: -59.210417
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -202.048588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.048588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.048588 (E_RNA)
where:
Base-Base interactions energy: -130.007
where: short stacking energy: -54.726
Base-Backbone interact. energy: 0.078
local terms energy: -72.118944
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -197.031435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.031435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.031435 (E_RNA)
where:
Base-Base interactions energy: -126.487
where: short stacking energy: -56.497
Base-Backbone interact. energy: -1.096
local terms energy: -69.447624
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -146.821781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.821781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.821781 (E_RNA)
where:
Base-Base interactions energy: -81.130
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.275
local terms energy: -65.417614
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -144.612836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.612836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.612836 (E_RNA)
where:
Base-Base interactions energy: -89.310
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.179
local terms energy: -55.123548
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -84.016865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.016865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.016865 (E_RNA)
where:
Base-Base interactions energy: -34.701
where: short stacking energy: -10.918
Base-Backbone interact. energy: 0.062
local terms energy: -49.377930
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -79.922005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922005 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -26.161
Base-Backbone interact. energy: -0.244
local terms energy: -50.563415
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -232.476228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.476228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.476228 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.570
local terms energy: -71.491269
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -221.779441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.779441 (E_RNA)
where:
Base-Base interactions energy: -155.768
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.002
local terms energy: -66.009796
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -16.548
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -218.199737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199737 (E_RNA)
where:
Base-Base interactions energy: -144.280
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.008
local terms energy: -73.912372
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -205.505340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.505340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.505340 (E_RNA)
where:
Base-Base interactions energy: -130.461
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.124
local terms energy: -74.919435
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -201.990965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990965 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -57.511
Base-Backbone interact. energy: -1.585
local terms energy: -66.214404
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -18.048
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -157.905263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.905263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.905263 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.055
local terms energy: -62.249679
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.403
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: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -194.492452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492452 (E_RNA)
where:
Base-Base interactions energy: -130.641
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.012
local terms energy: -63.839338
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -79.912505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.912505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.912505 (E_RNA)
where:
Base-Base interactions energy: -28.186
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.074
local terms energy: -51.652388
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -98.186474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.186474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.186474 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.087
local terms energy: -56.839681
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -7.922
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -76.580707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.580707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.580707 (E_RNA)
where:
Base-Base interactions energy: -27.917
where: short stacking energy: -16.836
Base-Backbone interact. energy: -0.179
local terms energy: -48.484526
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -237.449102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.449102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.449102 (E_RNA)
where:
Base-Base interactions energy: -160.486
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.097
local terms energy: -76.865896
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -12.984
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: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -226.447488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447488 (E_RNA)
where:
Base-Base interactions energy: -149.432
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.496
local terms energy: -76.519410
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -212.529969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.529969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529969 (E_RNA)
where:
Base-Base interactions energy: -142.565
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.191
local terms energy: -69.773496
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -216.113505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.113505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.113505 (E_RNA)
where:
Base-Base interactions energy: -148.308
where: short stacking energy: -57.267
Base-Backbone interact. energy: 1.538
local terms energy: -69.344385
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -178.493939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.493939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.493939 (E_RNA)
where:
Base-Base interactions energy: -120.796
where: short stacking energy: -57.098
Base-Backbone interact. energy: -1.488
local terms energy: -56.210182
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -198.122361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.122361 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -63.736
Base-Backbone interact. energy: -0.020
local terms energy: -68.559019
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -16.305
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: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -157.877881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.877881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.877881 (E_RNA)
where:
Base-Base interactions energy: -102.834
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.631
local terms energy: -54.412538
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -9.503
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: 184
Temperature: 1.250000
Total energy: -85.669923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669923 (E_RNA)
where:
Base-Base interactions energy: -39.758
where: short stacking energy: -32.438
Base-Backbone interact. energy: -0.232
local terms energy: -45.680080
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -0.476
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -78.510452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.510452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.510452 (E_RNA)
where:
Base-Base interactions energy: -33.362
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.156
local terms energy: -44.992312
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -8.376
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -72.012525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.012525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.012525 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.004
local terms energy: -40.268586
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -233.030700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030700 (E_RNA)
where:
Base-Base interactions energy: -153.047
where: short stacking energy: -59.847
Base-Backbone interact. energy: 0.278
local terms energy: -80.261937
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.759
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -224.791944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.791944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.791944 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.002
local terms energy: -70.154301
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -226.536441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.536441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.536441 (E_RNA)
where:
Base-Base interactions energy: -153.438
where: short stacking energy: -64.727
Base-Backbone interact. energy: 1.088
local terms energy: -74.186813
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -217.517502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.517502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.517502 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.340
local terms energy: -68.303738
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -5.985
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -208.840347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.840347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.840347 (E_RNA)
where:
Base-Base interactions energy: -144.147
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.094
local terms energy: -64.598779
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.430
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: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -209.504233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.504233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.504233 (E_RNA)
where:
Base-Base interactions energy: -140.094
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.004
local terms energy: -69.406790
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -19.041
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -151.948686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.948686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.948686 (E_RNA)
where:
Base-Base interactions energy: -97.425
where: short stacking energy: -42.177
Base-Backbone interact. energy: -0.100
local terms energy: -54.424264
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -8.899
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: 185
Temperature: 1.250000
Total energy: -85.595194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595194 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.070
local terms energy: -53.386777
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -73.102834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.102834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.102834 (E_RNA)
where:
Base-Base interactions energy: -24.603
where: short stacking energy: -22.861
Base-Backbone interact. energy: -0.404
local terms energy: -48.095571
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -67.408251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.408251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.408251 (E_RNA)
where:
Base-Base interactions energy: -26.306
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.284
local terms energy: -40.817835
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 1.485
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -243.434373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.434373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.434373 (E_RNA)
where:
Base-Base interactions energy: -165.933
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.707
local terms energy: -76.793580
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -222.583514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.583514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.583514 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -68.380
Base-Backbone interact. energy: -0.178
local terms energy: -74.357310
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -18.182
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: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -211.136643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.136643 (E_RNA)
where:
Base-Base interactions energy: -141.856
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.013
local terms energy: -69.267771
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.505
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -206.616759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616759 (E_RNA)
where:
Base-Base interactions energy: -138.868
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.162
local terms energy: -67.586677
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -210.871706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.871706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.871706 (E_RNA)
where:
Base-Base interactions energy: -137.989
where: short stacking energy: -64.107
Base-Backbone interact. energy: -1.918
local terms energy: -70.965539
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.290
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: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -206.617031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617031 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.002
local terms energy: -63.783987
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -6.676
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.622
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: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -149.464721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.464721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.464721 (E_RNA)
where:
Base-Base interactions energy: -94.052
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.061
local terms energy: -55.351221
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -98.854832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.854832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.854832 (E_RNA)
where:
Base-Base interactions energy: -49.370
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.147
local terms energy: -49.337676
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -83.938238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.938238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.938238 (E_RNA)
where:
Base-Base interactions energy: -28.866
where: short stacking energy: -28.796
Base-Backbone interact. energy: -0.036
local terms energy: -55.035658
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.608696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.608696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.608696 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.063
local terms energy: -47.334100
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -235.580908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.580908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.580908 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.242
local terms energy: -79.981974
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -226.622065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.622065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.622065 (E_RNA)
where:
Base-Base interactions energy: -148.357
where: short stacking energy: -67.721
Base-Backbone interact. energy: 0.018
local terms energy: -78.282768
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -20.550
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: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -228.350798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.350798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350798 (E_RNA)
where:
Base-Base interactions energy: -148.798
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.099
local terms energy: -79.454132
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -207.186513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.186513 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.362
local terms energy: -66.115393
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.315
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: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -211.836458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.836458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.836458 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.654
local terms energy: -68.387857
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -18.999
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: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -196.583919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.583919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.583919 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -59.899
Base-Backbone interact. energy: -0.004
local terms energy: -68.762162
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -14.143
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -165.647339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.647339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.647339 (E_RNA)
where:
Base-Base interactions energy: -94.677
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.190
local terms energy: -70.779527
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -82.144824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.144824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.144824 (E_RNA)
where:
Base-Base interactions energy: -31.001
where: short stacking energy: -31.001
Base-Backbone interact. energy: -1.103
local terms energy: -50.040865
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -92.605682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.605682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.605682 (E_RNA)
where:
Base-Base interactions energy: -44.948
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.202
local terms energy: -47.455832
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -82.653391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653391 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.240
local terms energy: -46.463208
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -232.176776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.176776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.176776 (E_RNA)
where:
Base-Base interactions energy: -155.860
where: short stacking energy: -69.559
Base-Backbone interact. energy: -2.663
local terms energy: -73.653724
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.456
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: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -231.560847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.560847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.560847 (E_RNA)
where:
Base-Base interactions energy: -157.008
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.009
local terms energy: -74.543316
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.907
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: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -226.527394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.527394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.527394 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.032
local terms energy: -73.806224
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -205.461759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.461759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.461759 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.496
local terms energy: -61.957361
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -13.438
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: 188
Temperature: 1.100000
Total energy: -202.329284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329284 (E_RNA)
where:
Base-Base interactions energy: -134.956
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.201
local terms energy: -67.172856
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.448
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: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -208.125398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.125398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.125398 (E_RNA)
where:
Base-Base interactions energy: -136.755
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.045
local terms energy: -71.325527
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -160.971553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.971553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.971553 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.041
local terms energy: -58.898729
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -9.108
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -75.799983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799983 (E_RNA)
where:
Base-Base interactions energy: -18.127
where: short stacking energy: -17.568
Base-Backbone interact. energy: -0.237
local terms energy: -57.436301
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -76.532177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.532177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.532177 (E_RNA)
where:
Base-Base interactions energy: -24.386
where: short stacking energy: -19.526
Base-Backbone interact. energy: -0.551
local terms energy: -51.595355
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -0.067
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.626611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.626611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.626611 (E_RNA)
where:
Base-Base interactions energy: -30.336
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.021
local terms energy: -47.269095
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -218.541497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.541497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.541497 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.307
local terms energy: -78.769936
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -230.286383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.286383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.286383 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.029
local terms energy: -74.909802
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.694
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: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -221.898471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.898471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.898471 (E_RNA)
where:
Base-Base interactions energy: -152.425
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.047
local terms energy: -69.426550
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -20.310
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: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -217.265586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.265586 (E_RNA)
where:
Base-Base interactions energy: -144.898
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.042
local terms energy: -72.325975
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -205.202631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202631 (E_RNA)
where:
Base-Base interactions energy: -135.174
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.007
local terms energy: -70.021906
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -16.092
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -153.002492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.002492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.002492 (E_RNA)
where:
Base-Base interactions energy: -97.187
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.237
local terms energy: -55.579150
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -203.492149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.492149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.492149 (E_RNA)
where:
Base-Base interactions energy: -130.011
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.148
local terms energy: -73.332533
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.574
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: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -86.360481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.360481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.360481 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.176
local terms energy: -56.423192
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -7.121
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -82.076275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.076275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.076275 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -32.905
Base-Backbone interact. energy: 0.367
local terms energy: -47.773069
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.577
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -79.644332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.644332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.644332 (E_RNA)
where:
Base-Base interactions energy: -30.342
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.202
local terms energy: -49.100976
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: 0.251
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: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -240.469613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.469613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.469613 (E_RNA)
where:
Base-Base interactions energy: -165.913
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.003
local terms energy: -74.554005
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -6.852
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: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -212.152281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.152281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.152281 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.090
local terms energy: -66.856230
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -14.598
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: 190
Temperature: 1.000000
Total energy: -219.345514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.345514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.345514 (E_RNA)
where:
Base-Base interactions energy: -141.092
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.003
local terms energy: -78.249622
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -19.910
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -216.847564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.847564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.847564 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -58.037
Base-Backbone interact. energy: -1.031
local terms energy: -75.974492
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.954
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: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -208.777766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.777766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.777766 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -62.153
Base-Backbone interact. energy: 0.513
local terms energy: -66.878857
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -17.375
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -175.187152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.187152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.187152 (E_RNA)
where:
Base-Base interactions energy: -120.929
where: short stacking energy: -43.902
Base-Backbone interact. energy: -0.105
local terms energy: -54.153017
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -10.098
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: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -195.228965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.228965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.228965 (E_RNA)
where:
Base-Base interactions energy: -125.312
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.218
local terms energy: -69.699194
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -96.956636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.956636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.956636 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -40.696
Base-Backbone interact. energy: -0.179
local terms energy: -56.082400
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -75.136089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.136089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.136089 (E_RNA)
where:
Base-Base interactions energy: -24.658
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.370
local terms energy: -50.107855
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -8.738
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -78.916540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.916540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.916540 (E_RNA)
where:
Base-Base interactions energy: -25.754
where: short stacking energy: -25.754
Base-Backbone interact. energy: 0.839
local terms energy: -54.001307
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -229.396488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396488 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.002
local terms energy: -73.131272
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -238.589811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.589811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.589811 (E_RNA)
where:
Base-Base interactions energy: -161.692
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.004
local terms energy: -76.894589
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -221.355522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355522 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.134
local terms energy: -76.299834
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -9.200
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: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -204.897896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.897896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.897896 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.009
local terms energy: -69.624976
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -203.284235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284235 (E_RNA)
where:
Base-Base interactions energy: -140.095
where: short stacking energy: -61.492
Base-Backbone interact. energy: 3.665
local terms energy: -66.854521
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -198.999114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.999114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.999114 (E_RNA)
where:
Base-Base interactions energy: -140.815
where: short stacking energy: -64.957
Base-Backbone interact. energy: 0.053
local terms energy: -58.236443
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -170.230270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230270 (E_RNA)
where:
Base-Base interactions energy: -109.232
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.075
local terms energy: -60.923424
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -87.782235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.782235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.782235 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -36.965
Base-Backbone interact. energy: 0.110
local terms energy: -50.222368
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -75.449569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449569 (E_RNA)
where:
Base-Base interactions energy: -26.194
where: short stacking energy: -22.899
Base-Backbone interact. energy: -0.103
local terms energy: -49.153015
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -69.591176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.591176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.591176 (E_RNA)
where:
Base-Base interactions energy: -22.160
where: short stacking energy: -21.150
Base-Backbone interact. energy: -1.048
local terms energy: -46.382978
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -233.432284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.432284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.432284 (E_RNA)
where:
Base-Base interactions energy: -156.215
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.001
local terms energy: -77.215761
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.345
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: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -225.412177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.412177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.412177 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -74.182
Base-Backbone interact. energy: -0.002
local terms energy: -76.328634
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -214.557990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.557990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.557990 (E_RNA)
where:
Base-Base interactions energy: -150.454
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.063
local terms energy: -64.041024
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.521
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: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -208.019784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.019784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.019784 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -53.189
Base-Backbone interact. energy: -0.075
local terms energy: -69.788344
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -209.214914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.214914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.214914 (E_RNA)
where:
Base-Base interactions energy: -135.296
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.154
local terms energy: -73.764921
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -201.820768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820768 (E_RNA)
where:
Base-Base interactions energy: -133.455
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.051
local terms energy: -68.315077
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -15.647
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: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -162.838907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.838907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.838907 (E_RNA)
where:
Base-Base interactions energy: -106.184
where: short stacking energy: -50.434
Base-Backbone interact. energy: -1.323
local terms energy: -55.332051
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -5.567
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -86.636897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.636897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.636897 (E_RNA)
where:
Base-Base interactions energy: -48.834
where: short stacking energy: -28.180
Base-Backbone interact. energy: -1.135
local terms energy: -36.667897
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: 1.467
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: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -83.399667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.399667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.399667 (E_RNA)
where:
Base-Base interactions energy: -29.471
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.100
local terms energy: -53.829510
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -78.984412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.984412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.984412 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.108
local terms energy: -49.536974
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -230.615402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615402 (E_RNA)
where:
Base-Base interactions energy: -158.318
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.038
local terms energy: -72.259693
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -226.864781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.864781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.864781 (E_RNA)
where:
Base-Base interactions energy: -151.805
where: short stacking energy: -73.338
Base-Backbone interact. energy: -0.180
local terms energy: -74.879242
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -217.832832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.832832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.832832 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.974
local terms energy: -71.099568
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -19.041
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: 193
Temperature: 1.050000
Total energy: -205.563438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.563438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.563438 (E_RNA)
where:
Base-Base interactions energy: -137.878
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.041
local terms energy: -67.644403
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -15.133
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: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -207.248058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248058 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -66.148
Base-Backbone interact. energy: 0.480
local terms energy: -65.599055
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -19.044
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -209.005120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.005120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.005120 (E_RNA)
where:
Base-Base interactions energy: -138.010
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.750
local terms energy: -70.244410
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -165.509198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.509198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.509198 (E_RNA)
where:
Base-Base interactions energy: -96.471
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.535
local terms energy: -68.503367
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -11.406
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: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -95.866410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866410 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -30.648
Base-Backbone interact. energy: 0.301
local terms energy: -63.117628
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -87.538874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538874 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -23.327
Base-Backbone interact. energy: -0.248
local terms energy: -55.982925
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -98.782231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782231 (E_RNA)
where:
Base-Base interactions energy: -54.815
where: short stacking energy: -22.231
Base-Backbone interact. energy: -0.216
local terms energy: -43.750880
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -1.806
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -242.052854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.052854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.052854 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -75.264
Base-Backbone interact. energy: -3.073
local terms energy: -79.139962
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -23.150
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: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -232.023536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.023536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.023536 (E_RNA)
where:
Base-Base interactions energy: -157.894
where: short stacking energy: -65.531
Base-Backbone interact. energy: -0.012
local terms energy: -74.117543
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -221.642651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.642651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.642651 (E_RNA)
where:
Base-Base interactions energy: -152.507
where: short stacking energy: -68.425
Base-Backbone interact. energy: -0.005
local terms energy: -69.130875
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -216.101588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.101588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.101588 (E_RNA)
where:
Base-Base interactions energy: -144.761
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.155
local terms energy: -71.185834
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -18.460
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -206.117737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.117737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.117737 (E_RNA)
where:
Base-Base interactions energy: -138.156
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.263
local terms energy: -67.698401
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -19.741
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: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -196.855210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.855210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.855210 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.028
local terms energy: -62.136387
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -16.447
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -148.158967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.158967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.158967 (E_RNA)
where:
Base-Base interactions energy: -87.333
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.083
local terms energy: -60.742674
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -8.441
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: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -93.585623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585623 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.157
local terms energy: -57.244149
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -101.659314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.659314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.659314 (E_RNA)
where:
Base-Base interactions energy: -55.816
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.095
local terms energy: -45.747794
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -75.366541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.366541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.366541 (E_RNA)
where:
Base-Base interactions energy: -24.922
where: short stacking energy: -22.334
Base-Backbone interact. energy: -0.021
local terms energy: -50.423925
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -3.739
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: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -236.677832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.677832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.677832 (E_RNA)
where:
Base-Base interactions energy: -157.095
where: short stacking energy: -77.561
Base-Backbone interact. energy: -0.017
local terms energy: -79.566089
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -234.236744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.236744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.236744 (E_RNA)
where:
Base-Base interactions energy: -152.963
where: short stacking energy: -75.604
Base-Backbone interact. energy: -0.046
local terms energy: -81.227781
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -229.841291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.841291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.841291 (E_RNA)
where:
Base-Base interactions energy: -150.292
where: short stacking energy: -69.676
Base-Backbone interact. energy: -1.800
local terms energy: -77.748746
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -207.580261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.580261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.580261 (E_RNA)
where:
Base-Base interactions energy: -137.726
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.009
local terms energy: -69.845704
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -217.802790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802790 (E_RNA)
where:
Base-Base interactions energy: -143.232
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.156
local terms energy: -74.414760
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -11.115
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: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -147.297798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.297798 (E_RNA)
where:
Base-Base interactions energy: -91.016
where: short stacking energy: -46.078
Base-Backbone interact. energy: -1.218
local terms energy: -55.063555
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -209.001114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.001114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.001114 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -63.346
Base-Backbone interact. energy: -0.069
local terms energy: -73.648424
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.218
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: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -107.752299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.752299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.752299 (E_RNA)
where:
Base-Base interactions energy: -57.884
where: short stacking energy: -33.276
Base-Backbone interact. energy: 0.823
local terms energy: -50.691038
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -79.483151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.483151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.483151 (E_RNA)
where:
Base-Base interactions energy: -28.820
where: short stacking energy: -28.744
Base-Backbone interact. energy: 0.372
local terms energy: -51.035417
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -78.403125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.403125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.403125 (E_RNA)
where:
Base-Base interactions energy: -31.989
where: short stacking energy: -20.998
Base-Backbone interact. energy: -0.385
local terms energy: -46.029077
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -242.235999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.235999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.235999 (E_RNA)
where:
Base-Base interactions energy: -160.356
where: short stacking energy: -76.841
Base-Backbone interact. energy: -0.082
local terms energy: -81.797966
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.768
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: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -231.394667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.394667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.394667 (E_RNA)
where:
Base-Base interactions energy: -151.615
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.216
local terms energy: -79.563756
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -207.448512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448512 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.228
local terms energy: -73.209802
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -19.071
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: 196
Temperature: 1.050000
Total energy: -212.516029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.516029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.516029 (E_RNA)
where:
Base-Base interactions energy: -138.797
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.009
local terms energy: -73.710260
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.940
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: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -212.677047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.677047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.677047 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -66.405
Base-Backbone interact. energy: 0.142
local terms energy: -68.596916
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -161.662878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.662878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.662878 (E_RNA)
where:
Base-Base interactions energy: -96.079
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.111
local terms energy: -65.472282
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -10.611
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: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -103.156218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.156218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.156218 (E_RNA)
where:
Base-Base interactions energy: -51.295
where: short stacking energy: -36.580
Base-Backbone interact. energy: -1.269
local terms energy: -50.592421
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -6.880
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: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -189.394572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.394572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.394572 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.121
local terms energy: -64.036926
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -14.626
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -85.184883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.184883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.184883 (E_RNA)
where:
Base-Base interactions energy: -31.448
where: short stacking energy: -26.830
Base-Backbone interact. energy: 0.283
local terms energy: -54.020173
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -11.033
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: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -77.478659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.478659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.478659 (E_RNA)
where:
Base-Base interactions energy: -27.363
where: short stacking energy: -22.036
Base-Backbone interact. energy: -0.373
local terms energy: -49.742168
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.741
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -230.068771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.068771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.068771 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.005
local terms energy: -78.573348
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.677
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: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -219.128621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.128621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.128621 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -61.827
Base-Backbone interact. energy: -0.229
local terms energy: -78.135150
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -233.705100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.705100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.705100 (E_RNA)
where:
Base-Base interactions energy: -153.441
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.002
local terms energy: -80.262014
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -13.247
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: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -204.387323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.387323 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.012
local terms energy: -74.312890
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -218.762761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.762761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.762761 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.428
local terms energy: -68.717737
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -160.891156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.891156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.891156 (E_RNA)
where:
Base-Base interactions energy: -97.350
where: short stacking energy: -47.798
Base-Backbone interact. energy: -0.136
local terms energy: -63.405205
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.368
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: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -94.537840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.537840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.537840 (E_RNA)
where:
Base-Base interactions energy: -40.925
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.151
local terms energy: -53.461013
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -3.647
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: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -190.069069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.069069 (E_RNA)
where:
Base-Base interactions energy: -127.243
where: short stacking energy: -62.664
Base-Backbone interact. energy: 0.016
local terms energy: -62.842401
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -16.637
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: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -70.506139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.506139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.506139 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.168
local terms energy: -41.620860
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -72.058871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.058871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.058871 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -28.819
Base-Backbone interact. energy: 0.268
local terms energy: -33.882026
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -0.147
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -228.779632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.779632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.779632 (E_RNA)
where:
Base-Base interactions energy: -157.572
where: short stacking energy: -74.551
Base-Backbone interact. energy: -0.004
local terms energy: -71.204048
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -20.725
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: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -238.010548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.010548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.010548 (E_RNA)
where:
Base-Base interactions energy: -157.730
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.178
local terms energy: -80.102256
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -212.826067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.826067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.826067 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.074
local terms energy: -62.215789
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -205.809753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809753 (E_RNA)
where:
Base-Base interactions energy: -132.865
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.032
local terms energy: -72.913503
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -205.535077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.535077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.535077 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.975
local terms energy: -75.025056
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -191.993354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.993354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.993354 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -54.976
Base-Backbone interact. energy: 1.526
local terms energy: -64.290190
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -10.963
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -183.638127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.638127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.638127 (E_RNA)
where:
Base-Base interactions energy: -116.210
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.036
local terms energy: -67.392450
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -78.980429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.980429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.980429 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.069
local terms energy: -48.176094
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -7.088
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: 198
Temperature: 1.300000
Total energy: -80.707254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707254 (E_RNA)
where:
Base-Base interactions energy: -23.320
where: short stacking energy: -23.820
Base-Backbone interact. energy: -2.300
local terms energy: -55.086896
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -98.689182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689182 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.061
local terms energy: -56.428878
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -238.839253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.839253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.839253 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -71.083
Base-Backbone interact. energy: -3.213
local terms energy: -76.121883
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.045
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -229.007422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.007422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.007422 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.765
local terms energy: -76.383907
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -219.361843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.361843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.361843 (E_RNA)
where:
Base-Base interactions energy: -156.146
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.028
local terms energy: -63.187727
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -17.812
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: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -205.328602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.328602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.328602 (E_RNA)
where:
Base-Base interactions energy: -139.283
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.070
local terms energy: -65.975060
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -16.941
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: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -218.739445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739445 (E_RNA)
where:
Base-Base interactions energy: -147.849
where: short stacking energy: -63.909
Base-Backbone interact. energy: -1.573
local terms energy: -69.316865
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.073
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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -195.899224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.899224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.899224 (E_RNA)
where:
Base-Base interactions energy: -120.648
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.005
local terms energy: -75.246240
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -175.590707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.590707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.590707 (E_RNA)
where:
Base-Base interactions energy: -107.085
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.510
local terms energy: -67.995349
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -12.802
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -90.042486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.042486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.042486 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.001
local terms energy: -52.964223
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -72.327534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.327534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.327534 (E_RNA)
where:
Base-Base interactions energy: -21.723
where: short stacking energy: -20.953
Base-Backbone interact. energy: -0.191
local terms energy: -50.413341
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -1.658
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -70.370049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.370049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.370049 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -21.677
Base-Backbone interact. energy: -0.234
local terms energy: -35.542759
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: 5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -239.057568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.057568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.057568 (E_RNA)
where:
Base-Base interactions energy: -152.128
where: short stacking energy: -75.705
Base-Backbone interact. energy: -2.445
local terms energy: -84.484709
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -23.873
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -242.749084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.749084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.749084 (E_RNA)
where:
Base-Base interactions energy: -163.001
where: short stacking energy: -73.339
Base-Backbone interact. energy: -1.215
local terms energy: -78.533176
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -221.128065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.128065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.128065 (E_RNA)
where:
Base-Base interactions energy: -148.347
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.002
local terms energy: -72.778946
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -19.891
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: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -212.008835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.008835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.008835 (E_RNA)
where:
Base-Base interactions energy: -149.090
where: short stacking energy: -64.044
Base-Backbone interact. energy: -0.026
local terms energy: -62.892596
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -216.175706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175706 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.950
local terms energy: -79.547988
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -198.513597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.513597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.513597 (E_RNA)
where:
Base-Base interactions energy: -130.624
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.719
local terms energy: -67.170762
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -11.750
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: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -91.950426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.950426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.950426 (E_RNA)
where:
Base-Base interactions energy: -36.633
where: short stacking energy: -32.176
Base-Backbone interact. energy: -0.015
local terms energy: -55.302429
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -153.238920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.238920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.238920 (E_RNA)
where:
Base-Base interactions energy: -97.872
where: short stacking energy: -44.185
Base-Backbone interact. energy: -0.486
local terms energy: -54.880242
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -9.211
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -91.326424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.326424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.326424 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -35.146
Base-Backbone interact. energy: -0.181
local terms energy: -54.182914
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -70.026699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.026699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.026699 (E_RNA)
where:
Base-Base interactions energy: -28.816
where: short stacking energy: -23.482
Base-Backbone interact. energy: -0.205
local terms energy: -41.006395
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -233.455966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.455966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.455966 (E_RNA)
where:
Base-Base interactions energy: -153.295
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.614
local terms energy: -79.546597
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -234.905409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.905409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.905409 (E_RNA)
where:
Base-Base interactions energy: -159.387
where: short stacking energy: -72.611
Base-Backbone interact. energy: -1.140
local terms energy: -74.378142
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -22.078
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -219.365612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.365612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.365612 (E_RNA)
where:
Base-Base interactions energy: -139.886
where: short stacking energy: -65.501
Base-Backbone interact. energy: -2.412
local terms energy: -77.067914
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -17.443
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: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -214.381491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.381491 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.240
local terms energy: -69.694718
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -8.389
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: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -212.220354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220354 (E_RNA)
where:
Base-Base interactions energy: -138.511
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.395
local terms energy: -73.314708
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -21.317
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: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -212.645161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645161 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.083
local terms energy: -67.379352
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -13.019
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: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -99.169023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.169023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.169023 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -43.978
Base-Backbone interact. energy: -0.009
local terms energy: -55.182308
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -147.310112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.310112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.310112 (E_RNA)
where:
Base-Base interactions energy: -88.137
where: short stacking energy: -41.823
Base-Backbone interact. energy: -0.279
local terms energy: -58.894685
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -78.120674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120674 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -20.444
Base-Backbone interact. energy: 1.072
local terms energy: -48.125356
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -4.337
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -4.923
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: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -82.153695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153695 (E_RNA)
where:
Base-Base interactions energy: -31.760
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.339
local terms energy: -50.054236
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -245.707489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.707489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.707489 (E_RNA)
where:
Base-Base interactions energy: -162.319
where: short stacking energy: -73.180
Base-Backbone interact. energy: 0.818
local terms energy: -84.206176
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -22.271
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -230.120185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.120185 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.003
local terms energy: -79.449928
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -7.881
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: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -231.232372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.232372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.232372 (E_RNA)
where:
Base-Base interactions energy: -160.566
where: short stacking energy: -71.790
Base-Backbone interact. energy: -1.400
local terms energy: -69.266508
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -213.171517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.171517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.171517 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.070
local terms energy: -67.211105
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -17.707
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -218.459242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.459242 (E_RNA)
where:
Base-Base interactions energy: -143.079
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.123
local terms energy: -75.257426
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -189.127116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.127116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.127116 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.005
local terms energy: -64.820767
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -173.856407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.856407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.856407 (E_RNA)
where:
Base-Base interactions energy: -108.592
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.377
local terms energy: -64.887457
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -83.625502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.625502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.625502 (E_RNA)
where:
Base-Base interactions energy: -30.980
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.087
local terms energy: -52.559417
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -77.929164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.929164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.929164 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.773
local terms energy: -42.673641
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -5.733
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: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -73.730758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.730758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.730758 (E_RNA)
where:
Base-Base interactions energy: -34.398
where: short stacking energy: -20.205
Base-Backbone interact. energy: -0.038
local terms energy: -39.294035
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: 3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -233.086166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.086166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.086166 (E_RNA)
where:
Base-Base interactions energy: -160.133
where: short stacking energy: -76.911
Base-Backbone interact. energy: -0.036
local terms energy: -72.917699
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -229.009167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.009167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.009167 (E_RNA)
where:
Base-Base interactions energy: -150.191
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.015
local terms energy: -78.803237
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.054
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: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -225.842053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.842053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842053 (E_RNA)
where:
Base-Base interactions energy: -150.210
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.002
local terms energy: -75.629855
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -19.347
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: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -210.332181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332181 (E_RNA)
where:
Base-Base interactions energy: -139.032
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.023
local terms energy: -71.277562
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.331
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -221.139557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.139557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.139557 (E_RNA)
where:
Base-Base interactions energy: -154.898
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.002
local terms energy: -66.239444
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -143.818695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.818695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.818695 (E_RNA)
where:
Base-Base interactions energy: -79.093
where: short stacking energy: -34.965
Base-Backbone interact. energy: -0.020
local terms energy: -64.705783
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -7.440
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -156.332970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.332970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.332970 (E_RNA)
where:
Base-Base interactions energy: -100.680
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.168
local terms energy: -55.484752
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -7.847
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: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -90.502509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.502509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.502509 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.099
local terms energy: -57.199993
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -82.405924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.405924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.405924 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -20.535
Base-Backbone interact. energy: -0.244
local terms energy: -53.851368
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -67.398290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.398290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.398290 (E_RNA)
where:
Base-Base interactions energy: -19.553
where: short stacking energy: -19.470
Base-Backbone interact. energy: 0.463
local terms energy: -48.307926
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -0.840
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: 204
Temperature: 0.900000
Total energy: -233.565819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.565819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.565819 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.654
local terms energy: -82.426172
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -13.604
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: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -215.414395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.414395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.414395 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -66.760
Base-Backbone interact. energy: -0.603
local terms energy: -63.366850
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -225.689008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.689008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.689008 (E_RNA)
where:
Base-Base interactions energy: -155.114
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.127
local terms energy: -70.447897
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -211.340388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.340388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.340388 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -61.596
Base-Backbone interact. energy: -0.053
local terms energy: -69.294954
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -222.050842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.050842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.050842 (E_RNA)
where:
Base-Base interactions energy: -147.915
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.007
local terms energy: -74.128988
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -184.322552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322552 (E_RNA)
where:
Base-Base interactions energy: -120.603
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.043
local terms energy: -63.675921
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -151.650730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.650730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.650730 (E_RNA)
where:
Base-Base interactions energy: -92.621
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.095
local terms energy: -58.934312
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -11.969
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: 204
Temperature: 1.250000
Total energy: -97.463543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.463543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.463543 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -33.237
Base-Backbone interact. energy: 0.301
local terms energy: -51.375027
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -10.054
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: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -82.119712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119712 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.303
local terms energy: -49.948853
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -3.608
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: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.030840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.030840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.030840 (E_RNA)
where:
Base-Base interactions energy: -20.699
where: short stacking energy: -19.658
Base-Backbone interact. energy: 0.307
local terms energy: -58.638590
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -233.311013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.311013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.311013 (E_RNA)
where:
Base-Base interactions energy: -151.705
where: short stacking energy: -71.921
Base-Backbone interact. energy: -2.121
local terms energy: -79.484926
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -226.321108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.321108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.321108 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.075
local terms energy: -70.844854
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -228.764571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.764571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.764571 (E_RNA)
where:
Base-Base interactions energy: -153.504
where: short stacking energy: -72.381
Base-Backbone interact. energy: 1.402
local terms energy: -76.663316
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -229.315764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.315764 (E_RNA)
where:
Base-Base interactions energy: -151.863
where: short stacking energy: -72.662
Base-Backbone interact. energy: -1.656
local terms energy: -75.796431
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -209.388764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.388764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.388764 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -58.813
Base-Backbone interact. energy: -0.083
local terms energy: -74.564424
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -12.006
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: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -159.892112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.892112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.892112 (E_RNA)
where:
Base-Base interactions energy: -105.176
where: short stacking energy: -49.452
Base-Backbone interact. energy: 0.611
local terms energy: -55.326501
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -1.772
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -207.212074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.212074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.212074 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.003
local terms energy: -70.862248
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -94.923330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.923330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.923330 (E_RNA)
where:
Base-Base interactions energy: -54.078
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.098
local terms energy: -40.747081
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.728860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.728860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.728860 (E_RNA)
where:
Base-Base interactions energy: -30.058
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.017
local terms energy: -50.653986
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -82.746122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746122 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.227
local terms energy: -51.956145
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -236.458649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.458649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.458649 (E_RNA)
where:
Base-Base interactions energy: -154.620
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.866
local terms energy: -80.972382
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.346
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: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -218.435672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.435672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.435672 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.023
local terms energy: -72.860627
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -19.773
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -211.346091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.346091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.346091 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.022
local terms energy: -74.374478
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -203.356989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.356989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.356989 (E_RNA)
where:
Base-Base interactions energy: -132.425
where: short stacking energy: -67.330
Base-Backbone interact. energy: -0.132
local terms energy: -70.799481
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -171.742290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.742290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.742290 (E_RNA)
where:
Base-Base interactions energy: -107.514
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.247
local terms energy: -63.981704
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -204.339752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.339752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.339752 (E_RNA)
where:
Base-Base interactions energy: -137.433
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.002
local terms energy: -66.904778
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -13.961
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: 206
Temperature: 1.200000
Total energy: -194.085223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.085223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.085223 (E_RNA)
where:
Base-Base interactions energy: -121.553
where: short stacking energy: -46.490
Base-Backbone interact. energy: -0.951
local terms energy: -71.581736
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -93.455644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455644 (E_RNA)
where:
Base-Base interactions energy: -30.336
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.106
local terms energy: -63.013730
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -87.387710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.387710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.387710 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -23.080
Base-Backbone interact. energy: -0.197
local terms energy: -53.533399
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -71.228628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.228628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.228628 (E_RNA)
where:
Base-Base interactions energy: -19.484
where: short stacking energy: -17.179
Base-Backbone interact. energy: -1.417
local terms energy: -50.326926
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.242
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: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -230.999142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999142 (E_RNA)
where:
Base-Base interactions energy: -157.509
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.649
local terms energy: -72.841384
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -219.269086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.269086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.269086 (E_RNA)
where:
Base-Base interactions energy: -145.299
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.077
local terms energy: -73.892802
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -211.631741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.631741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.631741 (E_RNA)
where:
Base-Base interactions energy: -140.027
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.097
local terms energy: -71.507905
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -14.931
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -216.855743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.855743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.855743 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -68.412
Base-Backbone interact. energy: -0.046
local terms energy: -66.910444
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -9.304
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: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -170.123989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.123989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.123989 (E_RNA)
where:
Base-Base interactions energy: -99.669
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.160
local terms energy: -70.294703
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -210.412891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412891 (E_RNA)
where:
Base-Base interactions energy: -136.861
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.439
local terms energy: -73.113409
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.807
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -201.914422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914422 (E_RNA)
where:
Base-Base interactions energy: -138.785
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.041
local terms energy: -63.087710
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -81.720103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.720103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.720103 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -26.237
Base-Backbone interact. energy: 0.037
local terms energy: -52.143789
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -86.783841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783841 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -30.908
Base-Backbone interact. energy: 0.114
local terms energy: -52.100924
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -80.137703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137703 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.276
local terms energy: -51.836407
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: 1.194
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: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -222.774819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.774819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.774819 (E_RNA)
where:
Base-Base interactions energy: -142.621
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.245
local terms energy: -79.908424
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -216.634255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.634255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.634255 (E_RNA)
where:
Base-Base interactions energy: -142.947
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.033
local terms energy: -73.654558
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -6.030
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -218.368953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.368953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.368953 (E_RNA)
where:
Base-Base interactions energy: -146.211
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.022
local terms energy: -72.135210
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -17.045
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -208.272437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.272437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.272437 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.709
local terms energy: -68.882430
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -15.729
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -200.941713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.941713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941713 (E_RNA)
where:
Base-Base interactions energy: -136.304
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.027
local terms energy: -64.610536
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -148.084478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.084478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.084478 (E_RNA)
where:
Base-Base interactions energy: -96.296
where: short stacking energy: -45.088
Base-Backbone interact. energy: -0.286
local terms energy: -51.502755
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -210.500481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.500481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.500481 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.081
local terms energy: -70.983088
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -83.924839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.924839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.924839 (E_RNA)
where:
Base-Base interactions energy: -30.180
where: short stacking energy: -22.816
Base-Backbone interact. energy: -0.641
local terms energy: -53.103106
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -4.907
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: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -81.320737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.320737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.320737 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.305
local terms energy: -48.740514
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -1.215
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: 208
Temperature: 1.350000
Total energy: -83.645026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645026 (E_RNA)
where:
Base-Base interactions energy: -46.886
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.238
local terms energy: -36.520964
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -2.125
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -218.248184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.248184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.248184 (E_RNA)
where:
Base-Base interactions energy: -146.277
where: short stacking energy: -66.769
Base-Backbone interact. energy: 0.437
local terms energy: -72.407746
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -19.306
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: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -222.665015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.665015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.665015 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.988
local terms energy: -79.738571
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -212.015548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015548 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -62.453
Base-Backbone interact. energy: 0.321
local terms energy: -72.898068
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -214.440545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440545 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.011
local terms energy: -73.238242
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -217.194698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.194698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.194698 (E_RNA)
where:
Base-Base interactions energy: -146.500
where: short stacking energy: -57.086
Base-Backbone interact. energy: 0.176
local terms energy: -70.870566
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -212.764354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.764354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.764354 (E_RNA)
where:
Base-Base interactions energy: -141.685
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.014
local terms energy: -71.065142
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -172.684565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.684565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.684565 (E_RNA)
where:
Base-Base interactions energy: -104.282
where: short stacking energy: -45.172
Base-Backbone interact. energy: -0.104
local terms energy: -68.298539
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -11.302
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: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -83.908757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908757 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -24.594
Base-Backbone interact. energy: -0.139
local terms energy: -52.024240
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -79.112061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112061 (E_RNA)
where:
Base-Base interactions energy: -23.152
where: short stacking energy: -22.955
Base-Backbone interact. energy: -0.958
local terms energy: -55.002634
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -77.436516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.436516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.436516 (E_RNA)
where:
Base-Base interactions energy: -23.557
where: short stacking energy: -24.257
Base-Backbone interact. energy: -0.322
local terms energy: -53.557668
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -235.155767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.155767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.155767 (E_RNA)
where:
Base-Base interactions energy: -154.517
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.465
local terms energy: -80.173605
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -22.969
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -229.593082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.593082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.593082 (E_RNA)
where:
Base-Base interactions energy: -152.646
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.179
local terms energy: -76.768335
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -219.031042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.031042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.031042 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.006
local terms energy: -74.279742
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.665
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: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -210.569388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.569388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.569388 (E_RNA)
where:
Base-Base interactions energy: -132.252
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.007
local terms energy: -78.311056
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -14.373
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: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -210.407437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.407437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.407437 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.009
local terms energy: -72.777238
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -20.808
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -198.506265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.506265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.506265 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.073
local terms energy: -70.382055
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -152.843948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.843948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.843948 (E_RNA)
where:
Base-Base interactions energy: -99.575
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.125
local terms energy: -53.143914
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -8.273
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: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -92.603599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.603599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.603599 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: 0.284
local terms energy: -56.658416
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -80.990317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990317 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.422
local terms energy: -50.500785
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.810020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.810020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.810020 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.424
local terms energy: -48.641685
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -3.641
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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -236.422444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.422444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.422444 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.063
local terms energy: -81.602886
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -20.261
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -223.176116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.176116 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.014
local terms energy: -75.632770
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -210.211670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.211670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.211670 (E_RNA)
where:
Base-Base interactions energy: -142.971
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.015
local terms energy: -67.225941
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.385
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: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -228.241522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.241522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.241522 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -67.558
Base-Backbone interact. energy: -4.237
local terms energy: -74.368541
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -212.612228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.612228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.612228 (E_RNA)
where:
Base-Base interactions energy: -142.836
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.240
local terms energy: -69.536605
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.226
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: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -154.930128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.930128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.930128 (E_RNA)
where:
Base-Base interactions energy: -97.869
where: short stacking energy: -48.650
Base-Backbone interact. energy: -0.004
local terms energy: -57.056964
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -9.065
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: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -184.717238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717238 (E_RNA)
where:
Base-Base interactions energy: -119.587
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.006
local terms energy: -65.123955
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -15.416
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: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -86.054197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054197 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -34.769
Base-Backbone interact. energy: 0.356
local terms energy: -51.641712
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -5.391
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -93.945148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.945148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.945148 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -38.309
Base-Backbone interact. energy: -0.954
local terms energy: -51.901107
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -5.755
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: 211
Temperature: 1.350000
Total energy: -71.593598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.593598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.593598 (E_RNA)
where:
Base-Base interactions energy: -27.968
where: short stacking energy: -23.452
Base-Backbone interact. energy: -0.746
local terms energy: -42.880411
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -239.418434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.418434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.418434 (E_RNA)
where:
Base-Base interactions energy: -161.190
where: short stacking energy: -73.634
Base-Backbone interact. energy: -1.607
local terms energy: -76.621603
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -234.260276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.260276 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.040
local terms energy: -79.524104
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -218.366225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.366225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.366225 (E_RNA)
where:
Base-Base interactions energy: -149.398
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.959
local terms energy: -68.009408
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -219.947776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.947776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.947776 (E_RNA)
where:
Base-Base interactions energy: -144.311
where: short stacking energy: -66.746
Base-Backbone interact. energy: -1.470
local terms energy: -74.166940
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.941
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: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -187.348781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.348781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.348781 (E_RNA)
where:
Base-Base interactions energy: -122.240
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.266
local terms energy: -64.843092
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -13.329
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: 212
Temperature: 1.150000
Total energy: -196.478411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.478411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.478411 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.122
local terms energy: -65.010949
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -193.500728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500728 (E_RNA)
where:
Base-Base interactions energy: -129.156
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.066
local terms energy: -64.279087
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -85.603992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.603992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.603992 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -27.161
Base-Backbone interact. energy: -0.488
local terms energy: -49.442508
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -86.804076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804076 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -30.978
Base-Backbone interact. energy: 0.252
local terms energy: -46.220244
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -5.817
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: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -99.387005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.387005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.387005 (E_RNA)
where:
Base-Base interactions energy: -57.635
where: short stacking energy: -19.109
Base-Backbone interact. energy: -0.222
local terms energy: -41.529551
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: 2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -241.136228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.136228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.136228 (E_RNA)
where:
Base-Base interactions energy: -155.910
where: short stacking energy: -72.642
Base-Backbone interact. energy: 0.199
local terms energy: -85.425886
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -234.618249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.618249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.618249 (E_RNA)
where:
Base-Base interactions energy: -166.060
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.002
local terms energy: -68.556661
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -5.696
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.893
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -223.294806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.294806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.294806 (E_RNA)
where:
Base-Base interactions energy: -145.833
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.004
local terms energy: -77.457789
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -211.303910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303910 (E_RNA)
where:
Base-Base interactions energy: -140.456
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.050
local terms energy: -70.797596
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -18.902
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -203.395486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.395486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.395486 (E_RNA)
where:
Base-Base interactions energy: -135.142
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.028
local terms energy: -68.225563
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -10.115
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: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -200.732202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.732202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.732202 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.038
local terms energy: -71.363878
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.803
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: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -200.749235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.749235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.749235 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -54.686
Base-Backbone interact. energy: -0.229
local terms energy: -66.733080
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -86.917420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917420 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -24.369
Base-Backbone interact. energy: -0.345
local terms energy: -51.225951
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -79.473181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.473181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.473181 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -32.377
Base-Backbone interact. energy: 0.963
local terms energy: -48.059472
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -123.963453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.963453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.963453 (E_RNA)
where:
Base-Base interactions energy: -74.025
where: short stacking energy: -26.623
Base-Backbone interact. energy: -1.219
local terms energy: -48.719693
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -3.456
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: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -231.514013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514013 (E_RNA)
where:
Base-Base interactions energy: -156.362
where: short stacking energy: -72.000
Base-Backbone interact. energy: -0.048
local terms energy: -75.104104
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -209.707640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.707640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707640 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.098
local terms energy: -72.543160
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -214.172633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.172633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.172633 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -65.309
Base-Backbone interact. energy: -0.022
local terms energy: -62.981218
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -226.487877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.487877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.487877 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.408
local terms energy: -70.920339
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -203.383364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.383364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383364 (E_RNA)
where:
Base-Base interactions energy: -131.409
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.394
local terms energy: -71.580097
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -20.404
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: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -172.868543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.868543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.868543 (E_RNA)
where:
Base-Base interactions energy: -111.579
where: short stacking energy: -46.124
Base-Backbone interact. energy: -0.744
local terms energy: -60.545830
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -196.436677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.436677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.436677 (E_RNA)
where:
Base-Base interactions energy: -131.060
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.212
local terms energy: -65.164185
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -19.721
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: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -150.894125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.894125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.894125 (E_RNA)
where:
Base-Base interactions energy: -93.665
where: short stacking energy: -38.302
Base-Backbone interact. energy: -0.148
local terms energy: -57.080811
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -11.019
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: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -134.483218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.483218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.483218 (E_RNA)
where:
Base-Base interactions energy: -81.845
where: short stacking energy: -39.600
Base-Backbone interact. energy: -0.384
local terms energy: -52.254187
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -87.617140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.617140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.617140 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -25.516
Base-Backbone interact. energy: -0.069
local terms energy: -53.740548
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -3.676
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: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -227.474814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.474814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.474814 (E_RNA)
where:
Base-Base interactions energy: -139.142
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.646
local terms energy: -87.686822
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -217.607171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.607171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.607171 (E_RNA)
where:
Base-Base interactions energy: -144.067
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.554
local terms energy: -72.985920
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -18.607
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -221.414010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.414010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.414010 (E_RNA)
where:
Base-Base interactions energy: -145.834
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.042
local terms energy: -75.537697
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -207.422665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.422665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.422665 (E_RNA)
where:
Base-Base interactions energy: -140.014
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.003
local terms energy: -67.405804
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.898
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -201.905982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905982 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -55.388
Base-Backbone interact. energy: 0.253
local terms energy: -64.256321
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -202.697256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.697256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.697256 (E_RNA)
where:
Base-Base interactions energy: -131.396
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.045
local terms energy: -71.256573
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.956
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: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -143.667063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.667063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.667063 (E_RNA)
where:
Base-Base interactions energy: -83.507
where: short stacking energy: -42.111
Base-Backbone interact. energy: 0.547
local terms energy: -60.707706
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -151.789978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.789978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.789978 (E_RNA)
where:
Base-Base interactions energy: -99.852
where: short stacking energy: -53.164
Base-Backbone interact. energy: -1.052
local terms energy: -50.885940
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -121.890534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.890534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.890534 (E_RNA)
where:
Base-Base interactions energy: -67.027
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.223
local terms energy: -54.640201
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -74.705435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.705435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.705435 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -30.546
Base-Backbone interact. energy: -0.303
local terms energy: -42.664127
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -2.218
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -233.896551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.896551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.896551 (E_RNA)
where:
Base-Base interactions energy: -153.669
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.079
local terms energy: -80.148499
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -20.959
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: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -224.742406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.742406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.742406 (E_RNA)
where:
Base-Base interactions energy: -151.591
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.134
local terms energy: -73.017342
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -219.411154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.411154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.411154 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.171
local terms energy: -72.928753
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -212.604129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.604129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.604129 (E_RNA)
where:
Base-Base interactions energy: -142.815
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.026
local terms energy: -69.763523
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -16.888
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: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -214.918769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.918769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.918769 (E_RNA)
where:
Base-Base interactions energy: -138.044
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.180
local terms energy: -76.695021
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -208.829662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.829662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829662 (E_RNA)
where:
Base-Base interactions energy: -138.016
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.280
local terms energy: -70.534321
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -147.490636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.490636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.490636 (E_RNA)
where:
Base-Base interactions energy: -85.656
where: short stacking energy: -40.440
Base-Backbone interact. energy: -1.134
local terms energy: -60.700175
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -132.610013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.610013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.610013 (E_RNA)
where:
Base-Base interactions energy: -80.273
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.070
local terms energy: -52.267119
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -77.920524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920524 (E_RNA)
where:
Base-Base interactions energy: -27.430
where: short stacking energy: -22.992
Base-Backbone interact. energy: -0.119
local terms energy: -50.371426
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -1.256
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -80.520532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.520532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.520532 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -23.703
Base-Backbone interact. energy: -0.107
local terms energy: -40.701068
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -6.744
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -241.419301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.419301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.419301 (E_RNA)
where:
Base-Base interactions energy: -157.526
where: short stacking energy: -79.661
Base-Backbone interact. energy: 0.241
local terms energy: -84.134262
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -23.276
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -229.308167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.308167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.308167 (E_RNA)
where:
Base-Base interactions energy: -157.338
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.685
local terms energy: -71.284507
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.631
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: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -218.826076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.826076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.826076 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -63.351
Base-Backbone interact. energy: -0.294
local terms energy: -76.926355
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -20.036
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: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -216.962350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.962350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.962350 (E_RNA)
where:
Base-Base interactions energy: -144.887
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.245
local terms energy: -71.830668
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -195.858399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858399 (E_RNA)
where:
Base-Base interactions energy: -125.792
where: short stacking energy: -49.389
Base-Backbone interact. energy: -0.581
local terms energy: -69.485501
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -10.633
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -204.676744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676744 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -58.102
Base-Backbone interact. energy: -0.302
local terms energy: -75.639401
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -156.429104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.429104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.429104 (E_RNA)
where:
Base-Base interactions energy: -97.428
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.336
local terms energy: -58.665755
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -6.077
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: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -88.432958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432958 (E_RNA)
where:
Base-Base interactions energy: -40.094
where: short stacking energy: -32.822
Base-Backbone interact. energy: 1.281
local terms energy: -49.620375
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -128.168430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.168430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.168430 (E_RNA)
where:
Base-Base interactions energy: -78.319
where: short stacking energy: -36.482
Base-Backbone interact. energy: -1.114
local terms energy: -48.735673
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -76.446084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.446084 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.408
local terms energy: -39.027234
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -7.438
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -233.380168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.380168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.380168 (E_RNA)
where:
Base-Base interactions energy: -152.025
where: short stacking energy: -66.342
Base-Backbone interact. energy: 0.088
local terms energy: -81.443669
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -219.324497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.324497 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -76.392
Base-Backbone interact. energy: 0.433
local terms energy: -76.498700
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.273
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -224.142116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142116 (E_RNA)
where:
Base-Base interactions energy: -150.083
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.267
local terms energy: -73.792423
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -20.632
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -210.786866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.786866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.786866 (E_RNA)
where:
Base-Base interactions energy: -139.015
where: short stacking energy: -70.332
Base-Backbone interact. energy: -0.007
local terms energy: -71.764507
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -207.137851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.137851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137851 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.407
local terms energy: -72.632790
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -205.718854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718854 (E_RNA)
where:
Base-Base interactions energy: -138.208
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.580
local terms energy: -66.930390
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -14.335
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -163.150777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.150777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.150777 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -50.453
Base-Backbone interact. energy: 0.443
local terms energy: -49.601407
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -6.208
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -95.201684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.201684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.201684 (E_RNA)
where:
Base-Base interactions energy: -43.906
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.079
local terms energy: -51.216926
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -2.185
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -132.719878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.719878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.719878 (E_RNA)
where:
Base-Base interactions energy: -78.213
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.366
local terms energy: -54.140608
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -84.352948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.352948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.352948 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -31.614
Base-Backbone interact. energy: -0.089
local terms energy: -47.439243
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -231.809061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809061 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -74.246
Base-Backbone interact. energy: -1.451
local terms energy: -80.496192
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.425
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -222.419463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.419463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.419463 (E_RNA)
where:
Base-Base interactions energy: -146.040
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.396
local terms energy: -75.982877
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.591
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -209.677282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.677282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.677282 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.325
local terms energy: -75.504085
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -221.355379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355379 (E_RNA)
where:
Base-Base interactions energy: -154.203
where: short stacking energy: -71.810
Base-Backbone interact. energy: -2.537
local terms energy: -64.615329
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -12.055
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: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -203.694307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.694307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.694307 (E_RNA)
where:
Base-Base interactions energy: -138.263
where: short stacking energy: -60.780
Base-Backbone interact. energy: -1.371
local terms energy: -64.060764
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -17.839
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: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -197.725365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.725365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.725365 (E_RNA)
where:
Base-Base interactions energy: -124.808
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.046
local terms energy: -72.871777
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.930
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: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -129.309930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.309930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.309930 (E_RNA)
where:
Base-Base interactions energy: -71.409
where: short stacking energy: -35.765
Base-Backbone interact. energy: -0.206
local terms energy: -57.694657
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -8.991
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -86.809682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.809682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.809682 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.104
local terms energy: -55.455280
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -4.836
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -76.902588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.902588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.902588 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -19.428
Base-Backbone interact. energy: 2.330
local terms energy: -53.976401
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -5.795
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -80.096256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096256 (E_RNA)
where:
Base-Base interactions energy: -34.747
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.263
local terms energy: -45.086657
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -10.253
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: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -228.834106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.834106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.834106 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.223
local terms energy: -78.256646
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -21.690
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -218.745297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.745297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.745297 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.007
local terms energy: -75.026799
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -19.611
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: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -216.296212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.296212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.296212 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.027
local terms energy: -74.664673
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -205.436219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.436219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.436219 (E_RNA)
where:
Base-Base interactions energy: -136.958
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.080
local terms energy: -68.397593
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -10.868
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: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -207.594893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.594893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.594893 (E_RNA)
where:
Base-Base interactions energy: -140.362
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.011
local terms energy: -67.221408
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -196.206239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.206239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.206239 (E_RNA)
where:
Base-Base interactions energy: -126.124
where: short stacking energy: -57.281
Base-Backbone interact. energy: -0.453
local terms energy: -69.629254
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.314
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -140.585882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.585882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.585882 (E_RNA)
where:
Base-Base interactions energy: -86.449
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.165
local terms energy: -53.972356
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -8.131
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: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.443820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443820 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.172
local terms energy: -47.083615
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -78.642572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.642572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.642572 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -35.068
Base-Backbone interact. energy: 0.061
local terms energy: -43.635835
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.123843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.123843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.123843 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.020
local terms energy: -53.682223
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -242.962241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.962241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.962241 (E_RNA)
where:
Base-Base interactions energy: -161.760
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.004
local terms energy: -81.198359
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.178
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: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -221.728558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.728558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728558 (E_RNA)
where:
Base-Base interactions energy: -148.326
where: short stacking energy: -58.006
Base-Backbone interact. energy: 0.925
local terms energy: -74.327219
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -212.075092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.075092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.075092 (E_RNA)
where:
Base-Base interactions energy: -133.449
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.905
local terms energy: -77.720902
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -10.715
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: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -213.069984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.069984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.069984 (E_RNA)
where:
Base-Base interactions energy: -137.513
where: short stacking energy: -64.864
Base-Backbone interact. energy: -1.581
local terms energy: -73.976318
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -205.947016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.947016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.947016 (E_RNA)
where:
Base-Base interactions energy: -141.579
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.100
local terms energy: -64.267949
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -19.438
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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -193.915562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.915562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.915562 (E_RNA)
where:
Base-Base interactions energy: -129.181
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.224
local terms energy: -64.510763
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -153.191400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.191400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.191400 (E_RNA)
where:
Base-Base interactions energy: -87.941
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.090
local terms energy: -65.160100
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -13.207
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -95.562993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.562993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.562993 (E_RNA)
where:
Base-Base interactions energy: -45.201
where: short stacking energy: -20.451
Base-Backbone interact. energy: -0.028
local terms energy: -50.333747
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -74.709415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.709415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.709415 (E_RNA)
where:
Base-Base interactions energy: -24.378
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.118
local terms energy: -50.213427
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -1.711
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: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -72.324055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.324055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.324055 (E_RNA)
where:
Base-Base interactions energy: -29.278
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.102
local terms energy: -42.943816
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -0.138
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -239.789178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.789178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.789178 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -70.300
Base-Backbone interact. energy: -0.008
local terms energy: -83.226583
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -13.074
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: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -222.921448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.921448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921448 (E_RNA)
where:
Base-Base interactions energy: -156.960
where: short stacking energy: -64.120
Base-Backbone interact. energy: 1.589
local terms energy: -67.550249
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.821
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: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -227.459756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.459756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.459756 (E_RNA)
where:
Base-Base interactions energy: -150.847
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.033
local terms energy: -76.579977
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -205.363929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.363929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.363929 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -64.025
Base-Backbone interact. energy: 0.940
local terms energy: -66.088962
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -214.448706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448706 (E_RNA)
where:
Base-Base interactions energy: -141.874
where: short stacking energy: -62.986
Base-Backbone interact. energy: -1.433
local terms energy: -71.142525
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.354
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: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -198.640464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.640464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.640464 (E_RNA)
where:
Base-Base interactions energy: -123.662
where: short stacking energy: -60.647
Base-Backbone interact. energy: -2.600
local terms energy: -72.378551
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -126.290648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.290648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.290648 (E_RNA)
where:
Base-Base interactions energy: -70.553
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.465
local terms energy: -55.272928
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -1.106
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: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -138.074775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.074775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.074775 (E_RNA)
where:
Base-Base interactions energy: -89.781
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.606
local terms energy: -47.687748
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -82.912929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912929 (E_RNA)
where:
Base-Base interactions energy: -28.332
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.055
local terms energy: -54.525595
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -70.838278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.838278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.838278 (E_RNA)
where:
Base-Base interactions energy: -22.063
where: short stacking energy: -22.196
Base-Backbone interact. energy: -0.194
local terms energy: -48.580823
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -235.974821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.974821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.974821 (E_RNA)
where:
Base-Base interactions energy: -161.245
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.374
local terms energy: -74.356691
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -237.955332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.955332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.955332 (E_RNA)
where:
Base-Base interactions energy: -155.477
where: short stacking energy: -71.114
Base-Backbone interact. energy: 0.034
local terms energy: -82.512834
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -230.125192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.125192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.125192 (E_RNA)
where:
Base-Base interactions energy: -152.353
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.012
local terms energy: -77.760016
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -218.990095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.990095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.990095 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.158
local terms energy: -77.089776
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -21.845
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: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -200.747440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.747440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.747440 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.596
local terms energy: -71.659544
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -12.763
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: 223
Temperature: 1.150000
Total energy: -194.712521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.712521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.712521 (E_RNA)
where:
Base-Base interactions energy: -130.388
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.303
local terms energy: -64.021806
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -104.698084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.698084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.698084 (E_RNA)
where:
Base-Base interactions energy: -56.175
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.007
local terms energy: -48.516141
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -132.857688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.857688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.857688 (E_RNA)
where:
Base-Base interactions energy: -77.095
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.324
local terms energy: -55.439159
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -76.058032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.058032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.058032 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.211
local terms energy: -48.524057
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -0.651
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: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -76.236174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236174 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -28.556
Base-Backbone interact. energy: 1.145
local terms energy: -48.150567
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -233.408006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408006 (E_RNA)
where:
Base-Base interactions energy: -158.460
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.011
local terms energy: -74.936608
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -233.956908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.956908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.956908 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -73.216
Base-Backbone interact. energy: -0.326
local terms energy: -78.942349
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -23.005
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -227.803427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.803427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.803427 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.296
local terms energy: -73.729679
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -20.562
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: 224
Temperature: 1.050000
Total energy: -213.625690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625690 (E_RNA)
where:
Base-Base interactions energy: -143.132
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.099
local terms energy: -70.394741
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -206.863914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863914 (E_RNA)
where:
Base-Base interactions energy: -136.512
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.595
local terms energy: -69.756055
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -13.261
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -212.689706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.689706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.689706 (E_RNA)
where:
Base-Base interactions energy: -144.757
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.009
local terms energy: -67.923313
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -147.820130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.820130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.820130 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -48.875
Base-Backbone interact. energy: -0.013
local terms energy: -59.319323
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -109.006991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.006991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.006991 (E_RNA)
where:
Base-Base interactions energy: -57.396
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.118
local terms energy: -51.492939
where:
bonds (distance) C4'-P energy: -2.789
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -10.208
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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -75.780236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.780236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.780236 (E_RNA)
where:
Base-Base interactions energy: -27.938
where: short stacking energy: -26.563
Base-Backbone interact. energy: -2.570
local terms energy: -45.272335
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -1.020
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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -81.698711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.698711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.698711 (E_RNA)
where:
Base-Base interactions energy: -26.088
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.077
local terms energy: -55.533703
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -228.741552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.741552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.741552 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.825
local terms energy: -79.055069
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -18.500
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: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -226.531977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.531977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.531977 (E_RNA)
where:
Base-Base interactions energy: -156.677
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.076
local terms energy: -69.779015
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -218.202016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.202016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.202016 (E_RNA)
where:
Base-Base interactions energy: -143.331
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.169
local terms energy: -74.702525
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -12.048
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -212.718587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718587 (E_RNA)
where:
Base-Base interactions energy: -138.101
where: short stacking energy: -61.962
Base-Backbone interact. energy: 1.650
local terms energy: -76.267515
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -12.119
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: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -204.492586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.492586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.492586 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.295
local terms energy: -69.032952
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.688
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: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -197.490077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.490077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.490077 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.039
local terms energy: -70.190696
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -157.591438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.591438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.591438 (E_RNA)
where:
Base-Base interactions energy: -91.561
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.580
local terms energy: -65.449957
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -100.850003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.850003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.850003 (E_RNA)
where:
Base-Base interactions energy: -55.890
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.130
local terms energy: -44.830163
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -91.409220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.409220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.409220 (E_RNA)
where:
Base-Base interactions energy: -47.335
where: short stacking energy: -19.988
Base-Backbone interact. energy: -0.118
local terms energy: -43.956596
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -2.754
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: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -76.099193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.099193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.099193 (E_RNA)
where:
Base-Base interactions energy: -28.644
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.393
local terms energy: -47.062501
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -224.394144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394144 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -72.374
Base-Backbone interact. energy: -0.032
local terms energy: -75.128341
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -22.122
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: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -231.290186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.290186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.290186 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.083
local terms energy: -75.706659
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -8.774
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: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -214.996649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.996649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.996649 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -68.111
Base-Backbone interact. energy: -0.621
local terms energy: -75.814279
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -213.308690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.308690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.308690 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.039
local terms energy: -75.517661
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -207.008930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.008930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.008930 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.445
local terms energy: -76.415553
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -18.585
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: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -211.641337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.641337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.641337 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.219
local terms energy: -72.478103
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -147.105003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.105003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.105003 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -36.780
Base-Backbone interact. energy: 0.668
local terms energy: -64.127347
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -5.078
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: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -78.511749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511749 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -23.124
Base-Backbone interact. energy: 0.935
local terms energy: -47.561469
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -85.528733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528733 (E_RNA)
where:
Base-Base interactions energy: -29.771
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.136
local terms energy: -55.622612
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.295477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.295477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.295477 (E_RNA)
where:
Base-Base interactions energy: -29.946
where: short stacking energy: -27.062
Base-Backbone interact. energy: -0.305
local terms energy: -52.044330
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -1.878
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -239.032470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.032470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.032470 (E_RNA)
where:
Base-Base interactions energy: -161.379
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.044
local terms energy: -77.609733
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -22.282
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: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -225.992764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.992764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.992764 (E_RNA)
where:
Base-Base interactions energy: -152.895
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.268
local terms energy: -72.829606
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -228.611901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.611901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.611901 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.018
local terms energy: -76.070335
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -213.153840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.153840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.153840 (E_RNA)
where:
Base-Base interactions energy: -137.768
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.973
local terms energy: -74.412291
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.898
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -213.332862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.332862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.332862 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.251
local terms energy: -71.124272
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -199.519845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.519845 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.048
local terms energy: -65.135668
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -148.622330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.622330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.622330 (E_RNA)
where:
Base-Base interactions energy: -100.295
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.242
local terms energy: -48.085219
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -87.393223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393223 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -26.425
Base-Backbone interact. energy: 0.166
local terms energy: -48.537891
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -79.646802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.646802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.646802 (E_RNA)
where:
Base-Base interactions energy: -26.827
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.066
local terms energy: -52.753978
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -72.645109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.645109 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.763
local terms energy: -41.879078
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -240.705456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.705456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.705456 (E_RNA)
where:
Base-Base interactions energy: -158.427
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.005
local terms energy: -82.273037
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -23.507
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: 228
Temperature: 0.950000
Total energy: -220.914489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.914489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.914489 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.044
local terms energy: -74.413017
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -218.456456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.456456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456456 (E_RNA)
where:
Base-Base interactions energy: -151.019
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.126
local terms energy: -67.312080
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -4.937
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: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -225.252589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.252589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.252589 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.635
local terms energy: -67.256380
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -10.026
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: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -199.155004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.155004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155004 (E_RNA)
where:
Base-Base interactions energy: -128.320
where: short stacking energy: -55.148
Base-Backbone interact. energy: -0.198
local terms energy: -70.636743
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -198.743557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.743557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.743557 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.005
local terms energy: -68.997566
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.851
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: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -165.219627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.219627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.219627 (E_RNA)
where:
Base-Base interactions energy: -105.770
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.113
local terms energy: -59.336989
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -5.995
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: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -85.464228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464228 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.022
local terms energy: -51.674743
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -4.010
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: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -75.539685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.539685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.539685 (E_RNA)
where:
Base-Base interactions energy: -26.459
where: short stacking energy: -21.523
Base-Backbone interact. energy: -0.109
local terms energy: -48.971466
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -78.364367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.364367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.364367 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -29.564
Base-Backbone interact. energy: 1.708
local terms energy: -45.830260
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -239.703545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.703545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.703545 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.005
local terms energy: -81.388054
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.979
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: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -215.869763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.869763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.869763 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.535
local terms energy: -72.848733
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -18.684
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: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -223.740944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.740944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.740944 (E_RNA)
where:
Base-Base interactions energy: -155.382
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.275
local terms energy: -68.083840
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -219.250069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.250069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.250069 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.017
local terms energy: -69.966612
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -215.028360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.028360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.028360 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.167
local terms energy: -71.305594
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -146.005540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.005540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.005540 (E_RNA)
where:
Base-Base interactions energy: -98.953
where: short stacking energy: -44.231
Base-Backbone interact. energy: -0.283
local terms energy: -46.769324
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -159.487516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.487516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.487516 (E_RNA)
where:
Base-Base interactions energy: -100.486
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.625
local terms energy: -58.376053
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -82.308212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.308212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.308212 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.330
local terms energy: -55.776033
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -81.866001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866001 (E_RNA)
where:
Base-Base interactions energy: -36.590
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.237
local terms energy: -45.039037
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -87.103777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103777 (E_RNA)
where:
Base-Base interactions energy: -43.246
where: short stacking energy: -24.179
Base-Backbone interact. energy: -0.373
local terms energy: -43.484622
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -218.833360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.833360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.833360 (E_RNA)
where:
Base-Base interactions energy: -147.548
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.002
local terms energy: -71.283415
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -228.022974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.022974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.022974 (E_RNA)
where:
Base-Base interactions energy: -151.669
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.004
local terms energy: -76.350616
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -218.381154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.381154 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.005
local terms energy: -76.831168
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -231.601542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.601542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.601542 (E_RNA)
where:
Base-Base interactions energy: -148.637
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.097
local terms energy: -82.867536
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -22.417
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: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -204.775109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.775109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.775109 (E_RNA)
where:
Base-Base interactions energy: -136.769
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.051
local terms energy: -67.954945
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -151.162098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.162098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.162098 (E_RNA)
where:
Base-Base interactions energy: -91.215
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.325
local terms energy: -59.621883
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -160.895006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.895006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.895006 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -48.501
Base-Backbone interact. energy: -0.655
local terms energy: -59.101523
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -10.631
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: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -84.542402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.542402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.542402 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.012
local terms energy: -49.533716
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -7.138
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: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -87.320493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.320493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.320493 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.098
local terms energy: -59.141655
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -8.209
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: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -71.143514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.143514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.143514 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -31.635
Base-Backbone interact. energy: -0.232
local terms energy: -36.493609
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: 1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -236.790314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.790314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.790314 (E_RNA)
where:
Base-Base interactions energy: -161.475
where: short stacking energy: -74.792
Base-Backbone interact. energy: -2.123
local terms energy: -73.192534
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -22.377
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: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -218.891031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.891031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891031 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.089
local terms energy: -70.659404
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -14.798
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -214.157555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.157555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.157555 (E_RNA)
where:
Base-Base interactions energy: -143.367
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.150
local terms energy: -70.640545
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -203.772109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.772109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.772109 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.414
local terms energy: -72.361218
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -203.052923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.052923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.052923 (E_RNA)
where:
Base-Base interactions energy: -129.994
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.973
local terms energy: -72.085825
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.364
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: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -199.674606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.674606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.674606 (E_RNA)
where:
Base-Base interactions energy: -130.238
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.438
local terms energy: -68.998912
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -156.521482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.521482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.521482 (E_RNA)
where:
Base-Base interactions energy: -92.872
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.134
local terms energy: -63.515624
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -82.958485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958485 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -27.153
Base-Backbone interact. energy: 1.205
local terms energy: -53.977331
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.330207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.330207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.330207 (E_RNA)
where:
Base-Base interactions energy: -26.199
where: short stacking energy: -26.199
Base-Backbone interact. energy: -0.249
local terms energy: -57.883115
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -75.789870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.789870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.789870 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -19.264
Base-Backbone interact. energy: 1.796
local terms energy: -51.242053
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -217.075158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.075158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.075158 (E_RNA)
where:
Base-Base interactions energy: -139.883
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.854
local terms energy: -76.338465
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -218.543533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.543533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.543533 (E_RNA)
where:
Base-Base interactions energy: -145.224
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.002
local terms energy: -73.317061
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -223.742892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.742892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.742892 (E_RNA)
where:
Base-Base interactions energy: -152.758
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.149
local terms energy: -70.836267
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -214.516351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.516351 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.031
local terms energy: -67.954853
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -202.746257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.746257 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.896
local terms energy: -68.451890
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -197.133731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.133731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133731 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.202
local terms energy: -66.863261
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -152.590868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.590868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.590868 (E_RNA)
where:
Base-Base interactions energy: -91.194
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.142
local terms energy: -61.255145
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -85.986617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.986617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.986617 (E_RNA)
where:
Base-Base interactions energy: -31.102
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.071
local terms energy: -54.813955
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -1.303
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: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.609310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.609310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.609310 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.280
local terms energy: -42.891852
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -7.252
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -82.909166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.909166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.909166 (E_RNA)
where:
Base-Base interactions energy: -28.558
where: short stacking energy: -27.356
Base-Backbone interact. energy: -0.085
local terms energy: -54.266048
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -2.981
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -223.073495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.073495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.073495 (E_RNA)
where:
Base-Base interactions energy: -154.370
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.844
local terms energy: -67.859620
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -19.058
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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -232.267686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.267686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.267686 (E_RNA)
where:
Base-Base interactions energy: -155.410
where: short stacking energy: -72.646
Base-Backbone interact. energy: 0.074
local terms energy: -76.932083
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -228.473012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.473012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.473012 (E_RNA)
where:
Base-Base interactions energy: -152.484
where: short stacking energy: -65.666
Base-Backbone interact. energy: 0.142
local terms energy: -76.130270
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -21.562
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: 233
Temperature: 1.050000
Total energy: -207.779778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.779778 (E_RNA)
where:
Base-Base interactions energy: -140.378
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.003
local terms energy: -67.398802
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -197.951480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.951480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.951480 (E_RNA)
where:
Base-Base interactions energy: -134.609
where: short stacking energy: -59.365
Base-Backbone interact. energy: 2.021
local terms energy: -65.363450
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -10.103
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: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -172.816964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.816964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.816964 (E_RNA)
where:
Base-Base interactions energy: -112.509
where: short stacking energy: -49.806
Base-Backbone interact. energy: 0.039
local terms energy: -60.346864
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -198.020950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.020950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.020950 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.319
local terms energy: -64.163867
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.156
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: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -79.176483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.176483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.176483 (E_RNA)
where:
Base-Base interactions energy: -27.119
where: short stacking energy: -27.119
Base-Backbone interact. energy: -0.056
local terms energy: -52.001532
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -3.775
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: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -85.069946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.069946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.069946 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.076
local terms energy: -55.219708
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -74.622105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.622105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.622105 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.142
local terms energy: -46.235365
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -235.042168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.042168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.042168 (E_RNA)
where:
Base-Base interactions energy: -156.356
where: short stacking energy: -73.451
Base-Backbone interact. energy: -2.867
local terms energy: -75.819602
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -217.538737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538737 (E_RNA)
where:
Base-Base interactions energy: -144.827
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.171
local terms energy: -72.541219
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.092
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -211.428794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.428794 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.278
local terms energy: -78.234114
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -11.653
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: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -215.897932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.897932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.897932 (E_RNA)
where:
Base-Base interactions energy: -143.156
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.024
local terms energy: -72.717056
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -11.602
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: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -162.564370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.564370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.564370 (E_RNA)
where:
Base-Base interactions energy: -96.153
where: short stacking energy: -52.339
Base-Backbone interact. energy: -0.797
local terms energy: -65.613825
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -9.462
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: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -217.323822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323822 (E_RNA)
where:
Base-Base interactions energy: -144.704
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.092
local terms energy: -72.528177
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -201.055547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.055547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.055547 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -61.761
Base-Backbone interact. energy: -0.001
local terms energy: -65.257342
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -90.363211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.363211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.363211 (E_RNA)
where:
Base-Base interactions energy: -27.700
where: short stacking energy: -24.693
Base-Backbone interact. energy: 0.715
local terms energy: -63.378289
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -86.104388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.104388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.104388 (E_RNA)
where:
Base-Base interactions energy: -39.330
where: short stacking energy: -28.845
Base-Backbone interact. energy: -0.755
local terms energy: -46.019187
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -70.334910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.334910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.334910 (E_RNA)
where:
Base-Base interactions energy: -21.632
where: short stacking energy: -15.976
Base-Backbone interact. energy: 1.350
local terms energy: -50.053198
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: 6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -234.429996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.429996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.429996 (E_RNA)
where:
Base-Base interactions energy: -155.101
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.029
local terms energy: -79.299804
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -225.600430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.600430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.600430 (E_RNA)
where:
Base-Base interactions energy: -157.199
where: short stacking energy: -65.130
Base-Backbone interact. energy: 0.727
local terms energy: -69.128405
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.584
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -209.571164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571164 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.001
local terms energy: -72.940667
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.542
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: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -218.725232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.725232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.725232 (E_RNA)
where:
Base-Base interactions energy: -150.258
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.014
local terms energy: -68.452429
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -20.664
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: 235
Temperature: 1.100000
Total energy: -192.218930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.218930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.218930 (E_RNA)
where:
Base-Base interactions energy: -121.018
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.749
local terms energy: -70.451552
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -10.980
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: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -210.092090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.092090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.092090 (E_RNA)
where:
Base-Base interactions energy: -137.203
where: short stacking energy: -65.552
Base-Backbone interact. energy: -0.001
local terms energy: -72.888284
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -171.032670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.032670 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.062
local terms energy: -60.016271
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -79.717172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717172 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -28.443
Base-Backbone interact. energy: 1.398
local terms energy: -51.125093
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -3.413
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: 235
Temperature: 1.300000
Total energy: -69.943819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.943819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.943819 (E_RNA)
where:
Base-Base interactions energy: -13.927
where: short stacking energy: -13.927
Base-Backbone interact. energy: 0.299
local terms energy: -56.316072
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -75.203230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.203230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.203230 (E_RNA)
where:
Base-Base interactions energy: -23.900
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.142
local terms energy: -51.160661
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -243.732688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.732688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.732688 (E_RNA)
where:
Base-Base interactions energy: -161.933
where: short stacking energy: -72.314
Base-Backbone interact. energy: -1.993
local terms energy: -79.806569
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -218.948003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.948003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.948003 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.354
local terms energy: -73.329177
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -8.160
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: 236
Temperature: 1.000000
Total energy: -221.645112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.645112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.645112 (E_RNA)
where:
Base-Base interactions energy: -148.849
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.114
local terms energy: -72.682510
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -207.667984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.667984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667984 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.295
local terms energy: -68.512254
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -220.803593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803593 (E_RNA)
where:
Base-Base interactions energy: -145.676
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.465
local terms energy: -74.662694
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -194.230430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.230430 (E_RNA)
where:
Base-Base interactions energy: -123.516
where: short stacking energy: -50.953
Base-Backbone interact. energy: -0.259
local terms energy: -70.455087
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -12.219
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: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -157.824680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.824680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.824680 (E_RNA)
where:
Base-Base interactions energy: -105.908
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.107
local terms energy: -51.809707
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -5.761
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -79.113711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113711 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.181
local terms energy: -49.781267
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -1.950
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: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -72.043888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.043888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.043888 (E_RNA)
where:
Base-Base interactions energy: -17.380
where: short stacking energy: -11.832
Base-Backbone interact. energy: 0.232
local terms energy: -54.895763
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.243371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.243371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.243371 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -27.570
Base-Backbone interact. energy: -0.046
local terms energy: -49.573605
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -237.220335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.220335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.220335 (E_RNA)
where:
Base-Base interactions energy: -158.592
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.162
local terms energy: -78.466160
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -21.475
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: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -223.730868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.730868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.730868 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.017
local terms energy: -72.504150
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -18.725
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: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -227.294290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.294290 (E_RNA)
where:
Base-Base interactions energy: -148.142
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.086
local terms energy: -79.066037
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -20.467
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -206.516004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.516004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.516004 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.075
local terms energy: -71.973941
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.778
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: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -214.565178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.565178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565178 (E_RNA)
where:
Base-Base interactions energy: -142.355
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.387
local terms energy: -71.823017
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.024
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: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -167.278673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.278673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.278673 (E_RNA)
where:
Base-Base interactions energy: -99.766
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.098
local terms energy: -67.414508
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -201.326639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.326639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.326639 (E_RNA)
where:
Base-Base interactions energy: -134.594
where: short stacking energy: -66.728
Base-Backbone interact. energy: -0.463
local terms energy: -66.269662
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -6.279
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -100.505553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.505553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.505553 (E_RNA)
where:
Base-Base interactions energy: -46.534
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.393
local terms energy: -53.578582
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -81.314649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314649 (E_RNA)
where:
Base-Base interactions energy: -44.142
where: short stacking energy: -19.689
Base-Backbone interact. energy: -0.277
local terms energy: -36.896249
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: 2.485
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -70.425373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.425373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.425373 (E_RNA)
where:
Base-Base interactions energy: -24.797
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.413
local terms energy: -45.215852
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -242.497458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.497458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.497458 (E_RNA)
where:
Base-Base interactions energy: -157.339
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.783
local terms energy: -84.374802
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.656
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: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -230.842942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.842942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.842942 (E_RNA)
where:
Base-Base interactions energy: -149.873
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.394
local terms energy: -80.575222
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -218.988205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.988205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.988205 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.355
local terms energy: -71.418640
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -204.838838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.838838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838838 (E_RNA)
where:
Base-Base interactions energy: -138.642
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.564
local terms energy: -65.633093
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -207.321437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.321437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.321437 (E_RNA)
where:
Base-Base interactions energy: -135.287
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.044
local terms energy: -71.990031
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -18.306
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: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -170.319048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.319048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.319048 (E_RNA)
where:
Base-Base interactions energy: -114.631
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.176
local terms energy: -55.511557
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -195.420976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.420976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.420976 (E_RNA)
where:
Base-Base interactions energy: -127.638
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.030
local terms energy: -67.752488
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -17.115
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: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.160851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160851 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -35.637
Base-Backbone interact. energy: -0.487
local terms energy: -49.022741
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -92.223084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.223084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.223084 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -27.381
Base-Backbone interact. energy: -0.223
local terms energy: -49.671214
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -93.323370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.323370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.323370 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -30.634
Base-Backbone interact. energy: -0.246
local terms energy: -58.410512
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -232.861600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.861600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.861600 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -69.517
Base-Backbone interact. energy: -0.010
local terms energy: -79.385285
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -225.521797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.521797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.521797 (E_RNA)
where:
Base-Base interactions energy: -149.024
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.003
local terms energy: -76.494243
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -218.171870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171870 (E_RNA)
where:
Base-Base interactions energy: -139.648
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.139
local terms energy: -78.385599
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -226.159647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.159647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.159647 (E_RNA)
where:
Base-Base interactions energy: -156.796
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.518
local terms energy: -68.845573
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -10.935
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -203.832842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.832842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.832842 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -56.937
Base-Backbone interact. energy: -0.053
local terms energy: -70.149878
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -17.445
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -154.011962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.011962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.011962 (E_RNA)
where:
Base-Base interactions energy: -87.873
where: short stacking energy: -44.621
Base-Backbone interact. energy: -0.865
local terms energy: -65.274272
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -201.161882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.161882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.161882 (E_RNA)
where:
Base-Base interactions energy: -132.568
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.139
local terms energy: -68.455652
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.768
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: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -86.783509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783509 (E_RNA)
where:
Base-Base interactions energy: -33.793
where: short stacking energy: -32.012
Base-Backbone interact. energy: 0.454
local terms energy: -53.444557
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -77.684965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.684965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.684965 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.100
local terms energy: -48.778094
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -7.766
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -89.509187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509187 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.602
local terms energy: -53.502553
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -12.435
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: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -231.843396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.843396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.843396 (E_RNA)
where:
Base-Base interactions energy: -153.095
where: short stacking energy: -70.527
Base-Backbone interact. energy: -0.005
local terms energy: -78.743770
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -234.190231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.190231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190231 (E_RNA)
where:
Base-Base interactions energy: -153.369
where: short stacking energy: -78.463
Base-Backbone interact. energy: -0.054
local terms energy: -80.767331
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -229.907077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907077 (E_RNA)
where:
Base-Base interactions energy: -152.853
where: short stacking energy: -71.812
Base-Backbone interact. energy: -1.337
local terms energy: -75.717470
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -207.116650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.116650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.116650 (E_RNA)
where:
Base-Base interactions energy: -139.569
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.524
local terms energy: -67.024151
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -220.609195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609195 (E_RNA)
where:
Base-Base interactions energy: -147.644
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.190
local terms energy: -72.775659
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -173.434564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.434564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.434564 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.194
local terms energy: -56.080693
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -202.019279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019279 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.010
local terms energy: -67.327801
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -20.963
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: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -91.649343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649343 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -20.337
Base-Backbone interact. energy: -0.044
local terms energy: -51.050063
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -78.736949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.736949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.736949 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.022
local terms energy: -49.811045
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -77.141399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.141399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.141399 (E_RNA)
where:
Base-Base interactions energy: -25.505
where: short stacking energy: -25.505
Base-Backbone interact. energy: -0.609
local terms energy: -51.027643
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -8.132
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -6.229
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: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -238.672830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.672830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.672830 (E_RNA)
where:
Base-Base interactions energy: -154.950
where: short stacking energy: -70.321
Base-Backbone interact. energy: -0.226
local terms energy: -83.496461
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -19.770
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: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -242.384325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.384325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384325 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -74.965
Base-Backbone interact. energy: -0.018
local terms energy: -81.669142
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -228.698863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.698863 (E_RNA)
where:
Base-Base interactions energy: -156.974
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.090
local terms energy: -71.635160
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -217.711619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.711619 (E_RNA)
where:
Base-Base interactions energy: -146.487
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.014
local terms energy: -71.211190
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -204.906810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906810 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.443
local terms energy: -69.259858
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -13.089
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: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -215.055433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.055433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.055433 (E_RNA)
where:
Base-Base interactions energy: -141.522
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.004
local terms energy: -73.529966
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -19.490
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: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -182.527408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.527408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.527408 (E_RNA)
where:
Base-Base interactions energy: -114.226
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.747
local terms energy: -67.554431
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.855
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: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -118.631737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.631737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.631737 (E_RNA)
where:
Base-Base interactions energy: -59.665
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.269
local terms energy: -58.697612
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -76.498207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.498207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.498207 (E_RNA)
where:
Base-Base interactions energy: -21.804
where: short stacking energy: -21.804
Base-Backbone interact. energy: -0.263
local terms energy: -54.430574
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: 0.522
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: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.617716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.617716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.617716 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.536
local terms energy: -48.428204
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -231.023829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.023829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.023829 (E_RNA)
where:
Base-Base interactions energy: -153.921
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.127
local terms energy: -76.975790
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -233.336895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.336895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.336895 (E_RNA)
where:
Base-Base interactions energy: -157.157
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.043
local terms energy: -76.137269
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -17.427
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: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -220.107981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.107981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.107981 (E_RNA)
where:
Base-Base interactions energy: -151.575
where: short stacking energy: -66.414
Base-Backbone interact. energy: -0.108
local terms energy: -68.425028
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -21.311
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: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -228.627117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.627117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.627117 (E_RNA)
where:
Base-Base interactions energy: -154.871
where: short stacking energy: -69.147
Base-Backbone interact. energy: -0.291
local terms energy: -73.464568
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -12.014
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -210.202879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.202879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.202879 (E_RNA)
where:
Base-Base interactions energy: -132.837
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.063
local terms energy: -77.302662
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -15.934
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: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -205.171600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.171600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.171600 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.005
local terms energy: -68.981560
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -17.720
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -197.302528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.302528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.302528 (E_RNA)
where:
Base-Base interactions energy: -121.045
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.012
local terms energy: -76.245426
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -12.011
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -154.398804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.398804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.398804 (E_RNA)
where:
Base-Base interactions energy: -93.767
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.020
local terms energy: -60.610960
where:
bonds (distance) C4'-P energy: -6.213
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -73.463384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.463384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.463384 (E_RNA)
where:
Base-Base interactions energy: -26.256
where: short stacking energy: -18.463
Base-Backbone interact. energy: -0.205
local terms energy: -47.002014
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -72.667283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.667283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.667283 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.133
local terms energy: -40.578624
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -3.986
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: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -230.397076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.397076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.397076 (E_RNA)
where:
Base-Base interactions energy: -152.769
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.001
local terms energy: -77.627335
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -235.961612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.961612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.961612 (E_RNA)
where:
Base-Base interactions energy: -161.992
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.094
local terms energy: -73.875139
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -20.993
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: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -217.422157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422157 (E_RNA)
where:
Base-Base interactions energy: -145.650
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.028
local terms energy: -71.743579
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -19.680
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: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -220.223739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.223739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.223739 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.101
local terms energy: -66.363217
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -10.679
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: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -211.873031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873031 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.004
local terms energy: -71.508968
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -208.861371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.861371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861371 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.376
local terms energy: -66.545062
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -197.152628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152628 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -56.470
Base-Backbone interact. energy: -0.546
local terms energy: -56.490969
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -14.001
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: 243
Temperature: 1.250000
Total energy: -144.237794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.237794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.237794 (E_RNA)
where:
Base-Base interactions energy: -85.918
where: short stacking energy: -40.151
Base-Backbone interact. energy: -0.191
local terms energy: -58.128848
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -10.948
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: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -77.719670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.719670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.719670 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.203
local terms energy: -38.262586
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -2.155
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: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -76.883647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883647 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.051
local terms energy: -45.996523
where:
bonds (distance) C4'-P energy: -6.298
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -229.281177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.281177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.281177 (E_RNA)
where:
Base-Base interactions energy: -151.710
where: short stacking energy: -65.536
Base-Backbone interact. energy: 1.339
local terms energy: -78.910110
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -228.331363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.331363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.331363 (E_RNA)
where:
Base-Base interactions energy: -153.003
where: short stacking energy: -70.982
Base-Backbone interact. energy: -1.472
local terms energy: -73.856116
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -229.238627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.238627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.238627 (E_RNA)
where:
Base-Base interactions energy: -156.812
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.221
local terms energy: -72.206217
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -215.278903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.278903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.278903 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -63.443
Base-Backbone interact. energy: -1.495
local terms energy: -71.722695
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -208.356721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.356721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356721 (E_RNA)
where:
Base-Base interactions energy: -146.868
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.004
local terms energy: -61.484278
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -20.945
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: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -202.770229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.770229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.770229 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.005
local terms energy: -68.841319
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -138.105475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.105475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.105475 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.101
local terms energy: -55.233989
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -200.730321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730321 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.024
local terms energy: -68.789809
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -83.852053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.852053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.852053 (E_RNA)
where:
Base-Base interactions energy: -39.910
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.068
local terms energy: -43.873609
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: 1.259
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: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -77.325703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.325703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.325703 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.413
local terms energy: -48.834222
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.196
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -227.260683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.260683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.260683 (E_RNA)
where:
Base-Base interactions energy: -158.663
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.063
local terms energy: -68.534668
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -220.065416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065416 (E_RNA)
where:
Base-Base interactions energy: -145.928
where: short stacking energy: -63.604
Base-Backbone interact. energy: 1.870
local terms energy: -76.007383
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -219.807045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.807045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.807045 (E_RNA)
where:
Base-Base interactions energy: -145.569
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.257
local terms energy: -73.981429
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -18.496
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -217.228846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228846 (E_RNA)
where:
Base-Base interactions energy: -142.332
where: short stacking energy: -56.920
Base-Backbone interact. energy: -1.100
local terms energy: -73.797709
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -209.150961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.150961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.150961 (E_RNA)
where:
Base-Base interactions energy: -145.364
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.007
local terms energy: -63.779568
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -205.851220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.851220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.851220 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.455
local terms energy: -73.874686
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -147.217699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.217699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.217699 (E_RNA)
where:
Base-Base interactions energy: -92.707
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.229
local terms energy: -54.281594
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -197.278964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278964 (E_RNA)
where:
Base-Base interactions energy: -122.279
where: short stacking energy: -58.182
Base-Backbone interact. energy: 0.107
local terms energy: -75.107801
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -73.011263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.011263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.011263 (E_RNA)
where:
Base-Base interactions energy: -21.721
where: short stacking energy: -21.582
Base-Backbone interact. energy: -0.239
local terms energy: -51.051453
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -78.198536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.198536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.198536 (E_RNA)
where:
Base-Base interactions energy: -19.597
where: short stacking energy: -19.597
Base-Backbone interact. energy: -0.011
local terms energy: -58.590333
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -7.428
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: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -227.342183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.342183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.342183 (E_RNA)
where:
Base-Base interactions energy: -156.947
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.019
local terms energy: -70.375815
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -17.831
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: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -231.051140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.051140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.051140 (E_RNA)
where:
Base-Base interactions energy: -151.623
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.552
local terms energy: -78.875840
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -212.057010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.057010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.057010 (E_RNA)
where:
Base-Base interactions energy: -140.095
where: short stacking energy: -61.998
Base-Backbone interact. energy: 0.284
local terms energy: -72.245611
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -218.614021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.614021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.614021 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.245
local terms energy: -80.104447
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -20.706
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: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -214.635533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.635533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.635533 (E_RNA)
where:
Base-Base interactions energy: -147.046
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.964
local terms energy: -66.625582
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -204.965017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.965017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.965017 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.034
local terms energy: -72.014973
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -203.467362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.467362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467362 (E_RNA)
where:
Base-Base interactions energy: -132.760
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.335
local terms energy: -70.372393
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -159.177995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.177995 (E_RNA)
where:
Base-Base interactions energy: -95.569
where: short stacking energy: -49.515
Base-Backbone interact. energy: 1.052
local terms energy: -64.661051
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -102.224779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.224779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.224779 (E_RNA)
where:
Base-Base interactions energy: -52.406
where: short stacking energy: -27.731
Base-Backbone interact. energy: 0.711
local terms energy: -50.529914
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -76.766662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.766662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.766662 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.174
local terms energy: -46.014429
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: 2.028
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -241.280398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.280398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.280398 (E_RNA)
where:
Base-Base interactions energy: -163.072
where: short stacking energy: -65.683
Base-Backbone interact. energy: -0.018
local terms energy: -78.191151
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -232.445937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.445937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.445937 (E_RNA)
where:
Base-Base interactions energy: -155.425
where: short stacking energy: -72.950
Base-Backbone interact. energy: 0.556
local terms energy: -77.577403
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -215.898414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.898414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.898414 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.117
local terms energy: -64.072504
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -212.007093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007093 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -64.457
Base-Backbone interact. energy: 0.673
local terms energy: -71.987717
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.149
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: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -198.417437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.417437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.417437 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -63.472
Base-Backbone interact. energy: 1.391
local terms energy: -65.929502
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -195.622184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.622184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.622184 (E_RNA)
where:
Base-Base interactions energy: -126.003
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.284
local terms energy: -69.335098
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -15.701
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: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -199.381769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.381769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.381769 (E_RNA)
where:
Base-Base interactions energy: -133.001
where: short stacking energy: -62.220
Base-Backbone interact. energy: 1.059
local terms energy: -67.439563
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.389
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -133.528649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.528649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.528649 (E_RNA)
where:
Base-Base interactions energy: -75.834
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.017
local terms energy: -57.677061
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -8.630
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: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -100.416086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.416086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.416086 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -26.363
Base-Backbone interact. energy: 0.277
local terms energy: -57.299232
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -78.048409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.048409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.048409 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -18.634
Base-Backbone interact. energy: -0.861
local terms energy: -38.494265
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: 4.071
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: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -230.805257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.805257 (E_RNA)
where:
Base-Base interactions energy: -157.875
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.002
local terms energy: -72.927685
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -234.680991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.680991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.680991 (E_RNA)
where:
Base-Base interactions energy: -157.261
where: short stacking energy: -75.327
Base-Backbone interact. energy: 0.078
local terms energy: -77.498650
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -214.677842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677842 (E_RNA)
where:
Base-Base interactions energy: -148.378
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.057
local terms energy: -66.243746
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -216.774755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.774755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.774755 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.438
local terms energy: -71.517894
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -205.746609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.746609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.746609 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.134
local terms energy: -73.102101
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -19.850
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: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -191.614436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614436 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.733
local terms energy: -69.264256
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -200.620652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.620652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.620652 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -55.652
Base-Backbone interact. energy: -2.819
local terms energy: -71.668489
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -16.596
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -132.064102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.064102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.064102 (E_RNA)
where:
Base-Base interactions energy: -75.789
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.508
local terms energy: -55.767282
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -86.980476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.980476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.980476 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -28.886
Base-Backbone interact. energy: -0.282
local terms energy: -57.916243
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -75.405976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.405976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.405976 (E_RNA)
where:
Base-Base interactions energy: -20.240
where: short stacking energy: -20.240
Base-Backbone interact. energy: -0.716
local terms energy: -54.450240
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -11.606
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -235.508741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.508741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.508741 (E_RNA)
where:
Base-Base interactions energy: -162.462
where: short stacking energy: -72.629
Base-Backbone interact. energy: -2.509
local terms energy: -70.537404
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -231.941722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.941722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.941722 (E_RNA)
where:
Base-Base interactions energy: -157.362
where: short stacking energy: -72.621
Base-Backbone interact. energy: -0.001
local terms energy: -74.578818
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -22.757
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -214.161500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.161500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.161500 (E_RNA)
where:
Base-Base interactions energy: -144.479
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.003
local terms energy: -69.679439
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -214.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220778 (E_RNA)
where:
Base-Base interactions energy: -143.862
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.179
local terms energy: -70.179099
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -14.921
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: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -206.496891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.496891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.496891 (E_RNA)
where:
Base-Base interactions energy: -140.157
where: short stacking energy: -62.131
Base-Backbone interact. energy: 0.398
local terms energy: -66.738407
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -16.540
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: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -195.681527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.681527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.681527 (E_RNA)
where:
Base-Base interactions energy: -124.625
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.254
local terms energy: -70.802314
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -199.328626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.328626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.328626 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.001
local terms energy: -70.885886
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -89.007972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.007972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.007972 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -33.752
Base-Backbone interact. energy: 0.800
local terms energy: -49.151283
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -118.068963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.068963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.068963 (E_RNA)
where:
Base-Base interactions energy: -61.482
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.244
local terms energy: -56.342940
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -78.953597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.953597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.953597 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.193
local terms energy: -51.202112
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -5.117
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -232.384909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.384909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.384909 (E_RNA)
where:
Base-Base interactions energy: -158.129
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.233
local terms energy: -74.022965
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -226.185494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.185494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.185494 (E_RNA)
where:
Base-Base interactions energy: -152.554
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.002
local terms energy: -73.628950
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.706
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -219.042391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.042391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.042391 (E_RNA)
where:
Base-Base interactions energy: -149.684
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.261
local terms energy: -69.098235
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -221.926916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926916 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.122
local terms energy: -71.890710
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -207.039210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.039210 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.037
local terms energy: -68.262628
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -201.472348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.472348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.472348 (E_RNA)
where:
Base-Base interactions energy: -133.577
where: short stacking energy: -53.524
Base-Backbone interact. energy: 0.174
local terms energy: -68.069765
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -197.333617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.333617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.333617 (E_RNA)
where:
Base-Base interactions energy: -132.359
where: short stacking energy: -56.017
Base-Backbone interact. energy: 0.212
local terms energy: -65.186332
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -85.811516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.811516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.811516 (E_RNA)
where:
Base-Base interactions energy: -25.676
where: short stacking energy: -24.657
Base-Backbone interact. energy: -0.303
local terms energy: -59.832636
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -82.641904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641904 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -25.251
Base-Backbone interact. energy: 0.094
local terms energy: -47.981193
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -74.758227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758227 (E_RNA)
where:
Base-Base interactions energy: -23.043
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.582
local terms energy: -51.133468
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -230.257937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.257937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.257937 (E_RNA)
where:
Base-Base interactions energy: -153.504
where: short stacking energy: -71.789
Base-Backbone interact. energy: -0.003
local terms energy: -76.751099
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -7.872
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: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -229.085571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.085571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.085571 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.000
local terms energy: -75.311105
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -214.285688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.285688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.285688 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.029
local terms energy: -70.611832
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -19.659
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: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -229.541453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.541453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.541453 (E_RNA)
where:
Base-Base interactions energy: -152.990
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.349
local terms energy: -76.201875
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -18.350
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -207.228309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.228309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.228309 (E_RNA)
where:
Base-Base interactions energy: -136.058
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.926
local terms energy: -70.244122
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -208.052032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.052032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.052032 (E_RNA)
where:
Base-Base interactions energy: -142.588
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.088
local terms energy: -65.376849
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -20.022
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: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -201.101449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101449 (E_RNA)
where:
Base-Base interactions energy: -137.352
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.082
local terms energy: -63.667834
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -78.440226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.440226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.440226 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -23.949
Base-Backbone interact. energy: -0.191
local terms energy: -45.174675
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -2.973
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -5.846
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: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -71.798842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.798842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.798842 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -11.092
Base-Backbone interact. energy: -0.345
local terms energy: -44.715157
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -69.226119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.226119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.226119 (E_RNA)
where:
Base-Base interactions energy: -17.978
where: short stacking energy: -17.227
Base-Backbone interact. energy: -0.491
local terms energy: -50.756815
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -237.571905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.571905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.571905 (E_RNA)
where:
Base-Base interactions energy: -156.432
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.023
local terms energy: -81.117294
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -227.839412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.839412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.839412 (E_RNA)
where:
Base-Base interactions energy: -152.669
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.356
local terms energy: -74.813935
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -18.243
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: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -212.628326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.628326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.628326 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.019
local terms energy: -67.356792
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.295
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -211.601357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.601357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.601357 (E_RNA)
where:
Base-Base interactions energy: -137.087
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.440
local terms energy: -74.073871
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.123
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: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -208.781979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.781979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.781979 (E_RNA)
where:
Base-Base interactions energy: -146.493
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.052
local terms energy: -62.236492
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -1.334
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: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -204.253872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.253872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.253872 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.434
local terms energy: -72.759194
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -202.089234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.089234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.089234 (E_RNA)
where:
Base-Base interactions energy: -134.784
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.102
local terms energy: -67.203904
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -89.774549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.774549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.774549 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -35.124
Base-Backbone interact. energy: 0.052
local terms energy: -54.702004
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -84.881512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881512 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -29.459
Base-Backbone interact. energy: -0.136
local terms energy: -40.509362
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: 0.165
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -81.157490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.157490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.157490 (E_RNA)
where:
Base-Base interactions energy: -25.642
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.141
local terms energy: -55.373864
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -239.953670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.953670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.953670 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.001
local terms energy: -83.853393
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -235.852790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.852790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.852790 (E_RNA)
where:
Base-Base interactions energy: -158.835
where: short stacking energy: -72.592
Base-Backbone interact. energy: 0.140
local terms energy: -77.157336
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -222.211929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.211929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.211929 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -63.863
Base-Backbone interact. energy: 0.349
local terms energy: -76.875056
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -218.943501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.943501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.943501 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.005
local terms energy: -76.112366
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -211.782202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.782202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.782202 (E_RNA)
where:
Base-Base interactions energy: -138.177
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.005
local terms energy: -73.600577
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -204.634543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.634543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.634543 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -60.049
Base-Backbone interact. energy: 0.151
local terms energy: -64.971746
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -16.478
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -204.421485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.421485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.421485 (E_RNA)
where:
Base-Base interactions energy: -134.414
where: short stacking energy: -64.402
Base-Backbone interact. energy: -1.185
local terms energy: -68.822629
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -74.921633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.921633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.921633 (E_RNA)
where:
Base-Base interactions energy: -26.598
where: short stacking energy: -10.667
Base-Backbone interact. energy: 0.105
local terms energy: -48.429045
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -7.480
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -78.332805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.332805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.332805 (E_RNA)
where:
Base-Base interactions energy: -26.382
where: short stacking energy: -26.382
Base-Backbone interact. energy: -0.151
local terms energy: -51.799655
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.889113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889113 (E_RNA)
where:
Base-Base interactions energy: -32.494
where: short stacking energy: -22.698
Base-Backbone interact. energy: 0.535
local terms energy: -47.930403
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -236.595763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.595763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.595763 (E_RNA)
where:
Base-Base interactions energy: -158.050
where: short stacking energy: -72.060
Base-Backbone interact. energy: -3.613
local terms energy: -74.932061
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -228.794665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794665 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.100
local terms energy: -77.393613
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -232.848184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.848184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.848184 (E_RNA)
where:
Base-Base interactions energy: -153.021
where: short stacking energy: -69.376
Base-Backbone interact. energy: -2.962
local terms energy: -76.865165
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -212.355430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355430 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -65.672
Base-Backbone interact. energy: -0.158
local terms energy: -76.523171
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.967
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: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -202.683190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.683190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.683190 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -59.368
Base-Backbone interact. energy: -0.026
local terms energy: -73.642044
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -18.585
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: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -189.945503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.945503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.945503 (E_RNA)
where:
Base-Base interactions energy: -129.514
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.053
local terms energy: -60.378508
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -188.907291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.907291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.907291 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -57.987
Base-Backbone interact. energy: -0.074
local terms energy: -69.716474
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -128.155054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.155054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.155054 (E_RNA)
where:
Base-Base interactions energy: -66.257
where: short stacking energy: -50.413
Base-Backbone interact. energy: -0.501
local terms energy: -61.397343
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -9.674
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: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -87.280973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280973 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.159
local terms energy: -49.365794
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -71.335912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.335912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.335912 (E_RNA)
where:
Base-Base interactions energy: -25.422
where: short stacking energy: -25.422
Base-Backbone interact. energy: 1.602
local terms energy: -47.515925
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -227.351247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.351247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.351247 (E_RNA)
where:
Base-Base interactions energy: -151.514
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.493
local terms energy: -75.344530
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -216.801247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.801247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.801247 (E_RNA)
where:
Base-Base interactions energy: -138.069
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.003
local terms energy: -78.729225
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -20.705
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: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -231.896825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.896825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.896825 (E_RNA)
where:
Base-Base interactions energy: -158.378
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.000
local terms energy: -73.518676
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -22.361
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: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -218.056732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.056732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.056732 (E_RNA)
where:
Base-Base interactions energy: -141.093
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.003
local terms energy: -76.959872
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -215.957768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.957768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.957768 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.034
local terms energy: -70.993409
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -194.924968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.924968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.924968 (E_RNA)
where:
Base-Base interactions energy: -126.052
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.011
local terms energy: -68.861512
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.495
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: 255
Temperature: 1.200000
Total energy: -198.292851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.292851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.292851 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -62.133
Base-Backbone interact. energy: -1.032
local terms energy: -66.504321
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -81.311812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311812 (E_RNA)
where:
Base-Base interactions energy: -31.572
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.219
local terms energy: -49.520862
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -82.582862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582862 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -16.151
Base-Backbone interact. energy: -0.302
local terms energy: -48.963020
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -83.352029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352029 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.074
local terms energy: -49.360066
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -244.459316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.459316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.459316 (E_RNA)
where:
Base-Base interactions energy: -168.297
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.594
local terms energy: -75.568524
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.028
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: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -223.709775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.709775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.709775 (E_RNA)
where:
Base-Base interactions energy: -152.203
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.198
local terms energy: -71.309019
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -213.288059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288059 (E_RNA)
where:
Base-Base interactions energy: -147.091
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.167
local terms energy: -66.029962
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -4.820
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: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -219.074360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074360 (E_RNA)
where:
Base-Base interactions energy: -143.866
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.987
local terms energy: -74.221994
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -7.295
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -203.940820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.940820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.940820 (E_RNA)
where:
Base-Base interactions energy: -136.020
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.469
local terms energy: -67.451679
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.445
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: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -200.351398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.351398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.351398 (E_RNA)
where:
Base-Base interactions energy: -129.484
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.034
local terms energy: -70.833064
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -199.147652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147652 (E_RNA)
where:
Base-Base interactions energy: -126.705
where: short stacking energy: -57.896
Base-Backbone interact. energy: -0.966
local terms energy: -71.476624
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -84.029484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.029484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.029484 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -32.360
Base-Backbone interact. energy: 1.110
local terms energy: -52.779736
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -81.285192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285192 (E_RNA)
where:
Base-Base interactions energy: -28.529
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.119
local terms energy: -52.636894
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -70.309916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.309916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.309916 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -22.791
Base-Backbone interact. energy: -0.845
local terms energy: -40.074754
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -232.227221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.227221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.227221 (E_RNA)
where:
Base-Base interactions energy: -152.683
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.031
local terms energy: -79.512810
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -20.873
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: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -216.504918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.504918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.504918 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -64.575
Base-Backbone interact. energy: -1.672
local terms energy: -79.517214
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -217.689524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.689524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.689524 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.022
local terms energy: -65.439262
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -208.992020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.992020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.992020 (E_RNA)
where:
Base-Base interactions energy: -142.790
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.054
local terms energy: -66.147721
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -198.924110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.924110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.924110 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -48.313
Base-Backbone interact. energy: -0.341
local terms energy: -65.772490
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -16.361
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -206.466205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.466205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466205 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.085
local terms energy: -70.707228
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.471
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: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -200.668532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.668532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.668532 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.104
local terms energy: -65.149333
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -80.558274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.558274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.558274 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.253
local terms energy: -55.295934
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -7.727
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: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -75.353356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.353356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.353356 (E_RNA)
where:
Base-Base interactions energy: -29.333
where: short stacking energy: -17.109
Base-Backbone interact. energy: 0.584
local terms energy: -46.604412
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -70.485704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.485704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.485704 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.184
local terms energy: -43.868845
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -6.852
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -224.699658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.699658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.699658 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -66.103
Base-Backbone interact. energy: -0.008
local terms energy: -75.513816
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -17.544
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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -235.786314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.786314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.786314 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.029
local terms energy: -79.040142
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -218.670702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.670702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.670702 (E_RNA)
where:
Base-Base interactions energy: -142.178
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.001
local terms energy: -76.491849
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -219.575728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575728 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.076
local terms energy: -69.184348
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -211.459221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459221 (E_RNA)
where:
Base-Base interactions energy: -137.689
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.457
local terms energy: -73.313080
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.167
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -168.086710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.086710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.086710 (E_RNA)
where:
Base-Base interactions energy: -113.252
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.124
local terms energy: -54.711400
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -10.616
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: 258
Temperature: 1.200000
Total energy: -194.960839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.960839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.960839 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -49.157
Base-Backbone interact. energy: 0.781
local terms energy: -71.958259
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -97.874688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874688 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.128
local terms energy: -61.429135
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -83.295252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295252 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -28.157
Base-Backbone interact. energy: -0.070
local terms energy: -54.703659
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -83.747616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.747616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.747616 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.081
local terms energy: -50.178971
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -227.390003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.390003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.390003 (E_RNA)
where:
Base-Base interactions energy: -150.246
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.002
local terms energy: -77.142435
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -236.908436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.908436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.908436 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.050
local terms energy: -77.402067
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -12.432
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: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -211.349498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.349498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.349498 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.849
local terms energy: -67.235740
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -211.616887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.616887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.616887 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.142
local terms energy: -69.847087
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -212.356285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356285 (E_RNA)
where:
Base-Base interactions energy: -142.876
where: short stacking energy: -60.000
Base-Backbone interact. energy: -0.683
local terms energy: -68.796669
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -15.376
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -200.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.506583 (E_RNA)
where:
Base-Base interactions energy: -137.031
where: short stacking energy: -59.620
Base-Backbone interact. energy: -0.164
local terms energy: -63.311839
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -145.637398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.637398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.637398 (E_RNA)
where:
Base-Base interactions energy: -82.374
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.046
local terms energy: -63.217003
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -4.230
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.897736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.897736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.897736 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -35.648
Base-Backbone interact. energy: 1.604
local terms energy: -56.072167
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -77.277314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.277314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.277314 (E_RNA)
where:
Base-Base interactions energy: -29.604
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.130
local terms energy: -47.542702
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -77.931107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.931107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.931107 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -23.866
Base-Backbone interact. energy: 0.809
local terms energy: -49.670844
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -229.293687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.293687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.293687 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -63.684
Base-Backbone interact. energy: -1.887
local terms energy: -77.042895
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -12.815
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: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -228.367347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.367347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.367347 (E_RNA)
where:
Base-Base interactions energy: -156.599
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.036
local terms energy: -71.733187
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -228.262356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.262356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.262356 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.004
local terms energy: -75.532581
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -223.209262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.209262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.209262 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.459
local terms energy: -76.320004
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -216.126721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.126721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.126721 (E_RNA)
where:
Base-Base interactions energy: -140.866
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.031
local terms energy: -75.229429
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -207.620974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.620974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.620974 (E_RNA)
where:
Base-Base interactions energy: -134.690
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.045
local terms energy: -72.886427
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -15.671
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -158.506459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.506459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.506459 (E_RNA)
where:
Base-Base interactions energy: -99.431
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.507
local terms energy: -58.568139
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -7.873
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -12.417
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: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -83.128149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128149 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.067
local terms energy: -54.208727
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -78.339757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.339757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.339757 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.069
local terms energy: -50.154661
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -1.695
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: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -76.454438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.454438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.454438 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.063
local terms energy: -48.323702
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -219.261414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.261414 (E_RNA)
where:
Base-Base interactions energy: -140.753
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.045
local terms energy: -78.463493
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -223.428957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.428957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.428957 (E_RNA)
where:
Base-Base interactions energy: -151.131
where: short stacking energy: -72.601
Base-Backbone interact. energy: -0.021
local terms energy: -72.277349
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -225.757842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.757842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.757842 (E_RNA)
where:
Base-Base interactions energy: -152.436
where: short stacking energy: -67.416
Base-Backbone interact. energy: -0.469
local terms energy: -72.852384
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -20.678
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: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -218.369494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.369494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.369494 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -70.220
Base-Backbone interact. energy: -0.097
local terms energy: -69.708553
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -20.831
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: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -210.388684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.388684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.388684 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.004
local terms energy: -69.983024
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -4.807
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -200.441536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441536 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.002
local terms energy: -65.889386
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -159.195456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.195456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.195456 (E_RNA)
where:
Base-Base interactions energy: -102.724
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.582
local terms energy: -55.889615
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -80.643153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643153 (E_RNA)
where:
Base-Base interactions energy: -31.650
where: short stacking energy: -22.403
Base-Backbone interact. energy: -0.210
local terms energy: -48.782958
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -76.540574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.540574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.540574 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -28.473
Base-Backbone interact. energy: -0.735
local terms energy: -47.332420
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -5.096
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: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -74.105502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.105502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.105502 (E_RNA)
where:
Base-Base interactions energy: -24.631
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.136
local terms energy: -49.339165
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -226.323738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323738 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.089
local terms energy: -72.211466
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -230.086597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.086597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.086597 (E_RNA)
where:
Base-Base interactions energy: -156.100
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.940
local terms energy: -73.046733
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -19.311
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: 262
Temperature: 1.000000
Total energy: -224.137133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137133 (E_RNA)
where:
Base-Base interactions energy: -156.673
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.004
local terms energy: -67.460464
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -228.302807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.302807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302807 (E_RNA)
where:
Base-Base interactions energy: -154.671
where: short stacking energy: -73.097
Base-Backbone interact. energy: -0.438
local terms energy: -73.193949
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -215.625292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.625292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.625292 (E_RNA)
where:
Base-Base interactions energy: -141.447
where: short stacking energy: -68.219
Base-Backbone interact. energy: -2.843
local terms energy: -71.335210
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -19.653
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -207.531324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.531324 (E_RNA)
where:
Base-Base interactions energy: -134.104
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.073
local terms energy: -73.354439
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -139.256519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.256519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.256519 (E_RNA)
where:
Base-Base interactions energy: -77.419
where: short stacking energy: -38.902
Base-Backbone interact. energy: 0.985
local terms energy: -62.821864
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -89.107294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.107294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.107294 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -36.976
Base-Backbone interact. energy: 0.327
local terms energy: -52.217553
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -80.675868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.675868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.675868 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -29.235
Base-Backbone interact. energy: 0.281
local terms energy: -51.721357
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.769
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: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -79.838391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.838391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.838391 (E_RNA)
where:
Base-Base interactions energy: -30.139
where: short stacking energy: -30.139
Base-Backbone interact. energy: -0.089
local terms energy: -49.610917
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -9.690
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: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -218.447840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.447840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.447840 (E_RNA)
where:
Base-Base interactions energy: -144.937
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.363
local terms energy: -73.148482
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -230.446578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.446578 (E_RNA)
where:
Base-Base interactions energy: -150.220
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.373
local terms energy: -79.853693
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -24.011
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: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -213.533766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.533766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.533766 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.097
local terms energy: -68.929540
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -15.577
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: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -214.225195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.225195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.225195 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.037
local terms energy: -69.240464
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -18.312
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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -209.259352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.259352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.259352 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.140
local terms energy: -70.996207
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -149.856439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.856439 (E_RNA)
where:
Base-Base interactions energy: -92.638
where: short stacking energy: -48.914
Base-Backbone interact. energy: 0.566
local terms energy: -57.784232
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -189.333020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.333020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.333020 (E_RNA)
where:
Base-Base interactions energy: -126.012
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.258
local terms energy: -63.063327
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -80.210357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210357 (E_RNA)
where:
Base-Base interactions energy: -28.300
where: short stacking energy: -28.300
Base-Backbone interact. energy: -0.006
local terms energy: -51.905172
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -93.125368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.125368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.125368 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.012
local terms energy: -56.239598
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -71.871995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.871995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.871995 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.239
local terms energy: -45.102289
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -1.180
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -230.615069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615069 (E_RNA)
where:
Base-Base interactions energy: -151.392
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.156
local terms energy: -79.067289
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -223.162216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.162216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.162216 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -74.787
Base-Backbone interact. energy: -0.008
local terms energy: -72.018437
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -20.271
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: 264
Temperature: 1.000000
Total energy: -212.039060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.039060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.039060 (E_RNA)
where:
Base-Base interactions energy: -136.112
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.200
local terms energy: -75.727162
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -19.746
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: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -208.406656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.406656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.406656 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.029
local terms energy: -67.408656
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -205.706684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.706684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.706684 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.232
local terms energy: -71.372808
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -144.914806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.914806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.914806 (E_RNA)
where:
Base-Base interactions energy: -84.009
where: short stacking energy: -44.232
Base-Backbone interact. energy: 0.005
local terms energy: -60.910824
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -179.599139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.599139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.599139 (E_RNA)
where:
Base-Base interactions energy: -122.557
where: short stacking energy: -43.416
Base-Backbone interact. energy: -0.172
local terms energy: -56.870204
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -79.717106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717106 (E_RNA)
where:
Base-Base interactions energy: -34.379
where: short stacking energy: -22.728
Base-Backbone interact. energy: -0.281
local terms energy: -45.058048
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: 0.340
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: 264
Temperature: 1.300000
Total energy: -86.315782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315782 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -23.973
Base-Backbone interact. energy: -0.984
local terms energy: -47.584042
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -73.135572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.135572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.135572 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.844
local terms energy: -29.847114
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -0.912
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -230.302044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302044 (E_RNA)
where:
Base-Base interactions energy: -153.856
where: short stacking energy: -65.378
Base-Backbone interact. energy: -1.728
local terms energy: -74.718408
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -19.810
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -216.165074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.165074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.165074 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.647
local terms energy: -78.369505
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -219.046126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.046126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.046126 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.087
local terms energy: -76.060479
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -203.730192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.730192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.730192 (E_RNA)
where:
Base-Base interactions energy: -128.670
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.147
local terms energy: -74.913395
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -197.568234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.568234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.568234 (E_RNA)
where:
Base-Base interactions energy: -132.176
where: short stacking energy: -54.793
Base-Backbone interact. energy: -0.097
local terms energy: -65.294690
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -195.560905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.560905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560905 (E_RNA)
where:
Base-Base interactions energy: -132.098
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.295
local terms energy: -63.168653
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -6.406
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -143.669060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.669060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.669060 (E_RNA)
where:
Base-Base interactions energy: -81.546
where: short stacking energy: -41.786
Base-Backbone interact. energy: -0.087
local terms energy: -62.035924
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -86.959770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.959770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.959770 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.058
local terms energy: -58.607798
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -87.017715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.017715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.017715 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.142
local terms energy: -53.510989
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -0.457
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: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -74.814678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.814678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.814678 (E_RNA)
where:
Base-Base interactions energy: -25.308
where: short stacking energy: -16.293
Base-Backbone interact. energy: -0.373
local terms energy: -49.133325
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -233.869623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.869623 (E_RNA)
where:
Base-Base interactions energy: -155.189
where: short stacking energy: -64.125
Base-Backbone interact. energy: -0.002
local terms energy: -78.678150
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -218.454704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.454704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.454704 (E_RNA)
where:
Base-Base interactions energy: -144.885
where: short stacking energy: -60.564
Base-Backbone interact. energy: -1.077
local terms energy: -72.492161
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -13.491
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: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -209.193917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.193917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193917 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -61.502
Base-Backbone interact. energy: -1.991
local terms energy: -73.822615
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.143
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: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -215.173668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173668 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -58.139
Base-Backbone interact. energy: -0.860
local terms energy: -75.796409
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -195.528537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.528537 (E_RNA)
where:
Base-Base interactions energy: -125.446
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.138
local terms energy: -69.944623
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -195.229462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.229462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229462 (E_RNA)
where:
Base-Base interactions energy: -129.322
where: short stacking energy: -56.268
Base-Backbone interact. energy: 0.336
local terms energy: -66.243043
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -8.916
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: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -149.054960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.054960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.054960 (E_RNA)
where:
Base-Base interactions energy: -87.945
where: short stacking energy: -44.253
Base-Backbone interact. energy: 2.426
local terms energy: -63.536022
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -82.908324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.908324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.908324 (E_RNA)
where:
Base-Base interactions energy: -30.940
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.168
local terms energy: -51.800904
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -77.129451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129451 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -33.553
Base-Backbone interact. energy: -0.027
local terms energy: -39.663397
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -82.571308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.571308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.571308 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -32.277
Base-Backbone interact. energy: 0.133
local terms energy: -48.752031
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -240.195944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.195944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.195944 (E_RNA)
where:
Base-Base interactions energy: -159.855
where: short stacking energy: -72.059
Base-Backbone interact. energy: -0.001
local terms energy: -80.339784
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -217.183616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.183616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.183616 (E_RNA)
where:
Base-Base interactions energy: -143.864
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.010
local terms energy: -73.309878
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -228.108932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.108932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.108932 (E_RNA)
where:
Base-Base interactions energy: -155.613
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.026
local terms energy: -72.470358
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -6.753
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -222.519573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.519573 (E_RNA)
where:
Base-Base interactions energy: -152.570
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.764
local terms energy: -69.186437
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -198.072168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.072168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.072168 (E_RNA)
where:
Base-Base interactions energy: -129.918
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.001
local terms energy: -68.153583
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -17.824
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: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -215.191406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.191406 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.083
local terms energy: -71.346136
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -18.414
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: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -152.560781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.560781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.560781 (E_RNA)
where:
Base-Base interactions energy: -94.191
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.237
local terms energy: -58.133054
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -81.056083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.056083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.056083 (E_RNA)
where:
Base-Base interactions energy: -45.538
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.096
local terms energy: -35.421965
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -76.878578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.878578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.878578 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -23.456
Base-Backbone interact. energy: -0.155
local terms energy: -48.518808
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -74.906097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.906097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.906097 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.180
local terms energy: -51.710662
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -4.080
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: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -234.288241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.288241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.288241 (E_RNA)
where:
Base-Base interactions energy: -157.445
where: short stacking energy: -77.457
Base-Backbone interact. energy: -0.002
local terms energy: -76.841254
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.460
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: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -236.473185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.473185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.473185 (E_RNA)
where:
Base-Base interactions energy: -161.323
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.594
local terms energy: -74.556068
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -216.904191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.904191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.904191 (E_RNA)
where:
Base-Base interactions energy: -141.387
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.069
local terms energy: -75.447329
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -11.529
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: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -213.309009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.309009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309009 (E_RNA)
where:
Base-Base interactions energy: -141.192
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.004
local terms energy: -72.112947
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -208.952005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952005 (E_RNA)
where:
Base-Base interactions energy: -143.555
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.004
local terms energy: -65.392819
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -212.243648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.243648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.243648 (E_RNA)
where:
Base-Base interactions energy: -141.824
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.212
local terms energy: -70.207838
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -145.133443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.133443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.133443 (E_RNA)
where:
Base-Base interactions energy: -85.910
where: short stacking energy: -39.756
Base-Backbone interact. energy: 0.042
local terms energy: -59.265430
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -90.543041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543041 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -30.831
Base-Backbone interact. energy: 2.543
local terms energy: -47.938160
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -75.662578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.662578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.662578 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.102
local terms energy: -43.376459
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -3.234
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -77.734969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.734969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.734969 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.028
local terms energy: -44.150397
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -1.204
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: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -236.832428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.832428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.832428 (E_RNA)
where:
Base-Base interactions energy: -153.127
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.002
local terms energy: -83.703360
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -223.913939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913939 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.711
local terms energy: -76.716551
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -17.679
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -236.871850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.871850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.871850 (E_RNA)
where:
Base-Base interactions energy: -159.218
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.101
local terms energy: -77.553409
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -21.232
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: 269
Temperature: 1.050000
Total energy: -215.136685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.136685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.136685 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.006
local terms energy: -71.399410
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -212.307074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307074 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.585
local terms energy: -76.936770
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -17.850
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -196.595017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.595017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.595017 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -56.672
Base-Backbone interact. energy: -1.054
local terms energy: -61.615542
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -140.342649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.342649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.342649 (E_RNA)
where:
Base-Base interactions energy: -87.370
where: short stacking energy: -33.489
Base-Backbone interact. energy: -0.211
local terms energy: -52.761636
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -80.644823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644823 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.037
local terms energy: -42.899603
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -1.347
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -98.090918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.090918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.090918 (E_RNA)
where:
Base-Base interactions energy: -47.420
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.318
local terms energy: -50.352957
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -84.119655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.119655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.119655 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.073
local terms energy: -52.557557
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -3.387
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -227.257512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257512 (E_RNA)
where:
Base-Base interactions energy: -150.430
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.041
local terms energy: -76.787326
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -20.491
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: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -236.582293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582293 (E_RNA)
where:
Base-Base interactions energy: -154.943
where: short stacking energy: -68.643
Base-Backbone interact. energy: -2.806
local terms energy: -78.834067
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -219.715534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.715534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.715534 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -67.239
Base-Backbone interact. energy: -0.024
local terms energy: -70.324738
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -208.544738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.544738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.544738 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -61.937
Base-Backbone interact. energy: 1.467
local terms energy: -73.454151
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -210.624541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.624541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.624541 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.027
local terms energy: -68.529056
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -18.320
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -200.574207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574207 (E_RNA)
where:
Base-Base interactions energy: -130.685
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.080
local terms energy: -69.808483
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -175.959994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.959994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.959994 (E_RNA)
where:
Base-Base interactions energy: -117.385
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.494
local terms energy: -58.080724
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -79.820263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.820263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.820263 (E_RNA)
where:
Base-Base interactions energy: -28.180
where: short stacking energy: -28.739
Base-Backbone interact. energy: -0.102
local terms energy: -51.537434
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -4.691
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: 270
Temperature: 1.300000
Total energy: -81.644022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644022 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.173
local terms energy: -48.269558
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: 0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -78.314331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.314331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.314331 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -21.197
Base-Backbone interact. energy: -0.251
local terms energy: -50.801525
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.157
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -237.522384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.522384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.522384 (E_RNA)
where:
Base-Base interactions energy: -159.179
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.193
local terms energy: -78.150790
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -220.196103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.196103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.196103 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.050
local terms energy: -71.166488
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -18.190
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -214.932021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.932021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.932021 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.619
local terms energy: -74.003803
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -9.846
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: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -217.064461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.064461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.064461 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.631
local terms energy: -72.245554
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -20.667
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: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -203.457952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.457952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457952 (E_RNA)
where:
Base-Base interactions energy: -132.351
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.624
local terms energy: -70.483484
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -17.261
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: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -202.742528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.742528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.742528 (E_RNA)
where:
Base-Base interactions energy: -131.759
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.048
local terms energy: -70.935750
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -162.109013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.109013 (E_RNA)
where:
Base-Base interactions energy: -105.057
where: short stacking energy: -46.605
Base-Backbone interact. energy: 0.971
local terms energy: -58.023288
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -92.391868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391868 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -36.211
Base-Backbone interact. energy: -0.952
local terms energy: -54.804810
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -6.632
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: 271
Temperature: 1.300000
Total energy: -89.293754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.293754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.293754 (E_RNA)
where:
Base-Base interactions energy: -40.102
where: short stacking energy: -19.958
Base-Backbone interact. energy: -0.511
local terms energy: -48.680902
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -75.728027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.728027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.728027 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -24.867
Base-Backbone interact. energy: -0.552
local terms energy: -40.650659
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -236.812240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.812240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.812240 (E_RNA)
where:
Base-Base interactions energy: -167.671
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.266
local terms energy: -68.874361
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -228.274254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.274254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.274254 (E_RNA)
where:
Base-Base interactions energy: -152.393
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.317
local terms energy: -75.564003
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.560
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: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -214.786256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.786256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.786256 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -61.943
Base-Backbone interact. energy: -1.135
local terms energy: -69.338383
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -222.873865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.873865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873865 (E_RNA)
where:
Base-Base interactions energy: -145.794
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.040
local terms energy: -77.039760
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -11.543
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -206.554891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.554891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.554891 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -51.570
Base-Backbone interact. energy: -1.592
local terms energy: -70.837615
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -204.346337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.346337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.346337 (E_RNA)
where:
Base-Base interactions energy: -133.876
where: short stacking energy: -57.566
Base-Backbone interact. energy: 0.027
local terms energy: -70.497439
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -15.667
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: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -174.916528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.916528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.916528 (E_RNA)
where:
Base-Base interactions energy: -110.285
where: short stacking energy: -52.222
Base-Backbone interact. energy: -1.016
local terms energy: -63.614669
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -83.214489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214489 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.194
local terms energy: -37.738176
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: 4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -84.763776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763776 (E_RNA)
where:
Base-Base interactions energy: -42.011
where: short stacking energy: -27.262
Base-Backbone interact. energy: -0.236
local terms energy: -42.516448
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: 1.309
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: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -73.155349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.155349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.155349 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -13.644
Base-Backbone interact. energy: -0.135
local terms energy: -42.903707
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: 4.220
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: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -242.754786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.754786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.754786 (E_RNA)
where:
Base-Base interactions energy: -167.640
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.101
local terms energy: -75.014014
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -17.857
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: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -209.330957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.330957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.330957 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -61.164
Base-Backbone interact. energy: 1.051
local terms energy: -72.696930
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.185
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -219.931631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.931631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.931631 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.085
local terms energy: -71.857267
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -211.451120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.451120 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.175
local terms energy: -71.082554
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -218.600487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.600487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.600487 (E_RNA)
where:
Base-Base interactions energy: -138.553
where: short stacking energy: -62.512
Base-Backbone interact. energy: -0.569
local terms energy: -79.478581
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -204.654997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.654997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.654997 (E_RNA)
where:
Base-Base interactions energy: -134.015
where: short stacking energy: -54.353
Base-Backbone interact. energy: -0.002
local terms energy: -70.637463
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -193.973707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.973707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.973707 (E_RNA)
where:
Base-Base interactions energy: -128.460
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.638
local terms energy: -64.875943
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -82.936014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.936014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.936014 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.104
local terms energy: -50.273137
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -79.007200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.007200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.007200 (E_RNA)
where:
Base-Base interactions energy: -28.609
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.032
local terms energy: -50.365835
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -90.593190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.593190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.593190 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -34.096
Base-Backbone interact. energy: -0.076
local terms energy: -47.054879
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -9.517
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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -232.021631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.021631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.021631 (E_RNA)
where:
Base-Base interactions energy: -152.566
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.010
local terms energy: -79.446402
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -225.256102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.256102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.256102 (E_RNA)
where:
Base-Base interactions energy: -155.252
where: short stacking energy: -70.091
Base-Backbone interact. energy: -0.001
local terms energy: -70.003612
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -18.543
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: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -213.746823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.746823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.746823 (E_RNA)
where:
Base-Base interactions energy: -142.743
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.082
local terms energy: -70.922147
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -206.589538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.589538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.589538 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.001
local terms energy: -63.764032
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -208.039300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.039300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039300 (E_RNA)
where:
Base-Base interactions energy: -136.906
where: short stacking energy: -57.530
Base-Backbone interact. energy: -1.096
local terms energy: -70.036439
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.612
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -205.546104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.546104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.546104 (E_RNA)
where:
Base-Base interactions energy: -131.249
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.223
local terms energy: -74.073966
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.383
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -203.178370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.178370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.178370 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.823
local terms energy: -68.611039
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -12.361
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.316801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.316801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.316801 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.227
local terms energy: -46.352730
where:
bonds (distance) C4'-P energy: -6.620
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -74.733836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.733836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.733836 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -30.696
Base-Backbone interact. energy: -0.016
local terms energy: -44.021652
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.659
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: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -83.566453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.566453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.566453 (E_RNA)
where:
Base-Base interactions energy: -35.292
where: short stacking energy: -35.292
Base-Backbone interact. energy: 0.051
local terms energy: -48.324784
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -234.985948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.985948 (E_RNA)
where:
Base-Base interactions energy: -162.910
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.588
local terms energy: -71.487842
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -17.503
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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -221.576672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.576672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.576672 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.665
local terms energy: -71.135293
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -18.061
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: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -208.036999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.036999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.036999 (E_RNA)
where:
Base-Base interactions energy: -133.447
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.245
local terms energy: -74.344877
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -207.164788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.164788 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.048
local terms energy: -72.109253
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -207.159941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159941 (E_RNA)
where:
Base-Base interactions energy: -136.749
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.057
local terms energy: -70.353762
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -211.929929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.929929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.929929 (E_RNA)
where:
Base-Base interactions energy: -140.916
where: short stacking energy: -70.462
Base-Backbone interact. energy: -0.007
local terms energy: -71.006876
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -198.312384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.312384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.312384 (E_RNA)
where:
Base-Base interactions energy: -123.538
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.208
local terms energy: -74.566726
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -112.072822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.072822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.072822 (E_RNA)
where:
Base-Base interactions energy: -59.211
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.076
local terms energy: -52.786142
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -3.076
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: 275
Temperature: 1.300000
Total energy: -101.924838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.924838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.924838 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -43.167
Base-Backbone interact. energy: -0.063
local terms energy: -57.388931
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -79.719818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719818 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -33.538
Base-Backbone interact. energy: 0.739
local terms energy: -46.921421
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -233.754872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.754872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.754872 (E_RNA)
where:
Base-Base interactions energy: -155.407
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.023
local terms energy: -78.324467
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -232.227423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.227423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.227423 (E_RNA)
where:
Base-Base interactions energy: -154.438
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.665
local terms energy: -77.124808
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.173
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: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -208.546862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.546862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.546862 (E_RNA)
where:
Base-Base interactions energy: -141.669
where: short stacking energy: -65.483
Base-Backbone interact. energy: 2.824
local terms energy: -69.702016
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -15.489
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: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -212.727956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.727956 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -62.796
Base-Backbone interact. energy: -0.003
local terms energy: -74.659945
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.012
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: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -206.129209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.129209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.129209 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.087
local terms energy: -70.843196
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -205.265036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.265036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.265036 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.622
local terms energy: -67.096693
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -17.289
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: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -194.399269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.399269 (E_RNA)
where:
Base-Base interactions energy: -124.571
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.360
local terms energy: -69.469178
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -138.691249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.691249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.691249 (E_RNA)
where:
Base-Base interactions energy: -78.895
where: short stacking energy: -30.826
Base-Backbone interact. energy: -1.374
local terms energy: -58.422172
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -77.346110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.346110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.346110 (E_RNA)
where:
Base-Base interactions energy: -29.796
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.208
local terms energy: -47.341915
where:
bonds (distance) C4'-P energy: -6.896
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -79.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.781482 (E_RNA)
where:
Base-Base interactions energy: -27.011
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.287
local terms energy: -52.484052
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -219.795380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.795380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.795380 (E_RNA)
where:
Base-Base interactions energy: -143.780
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.084
local terms energy: -75.931023
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -214.118369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.118369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.118369 (E_RNA)
where:
Base-Base interactions energy: -141.833
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.082
local terms energy: -72.203903
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -226.226121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.226121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.226121 (E_RNA)
where:
Base-Base interactions energy: -148.595
where: short stacking energy: -71.731
Base-Backbone interact. energy: -3.397
local terms energy: -74.234847
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -212.391288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.391288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.391288 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.197
local terms energy: -74.167349
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -199.881442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881442 (E_RNA)
where:
Base-Base interactions energy: -136.394
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.041
local terms energy: -63.445754
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: -17.157
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: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -197.402617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.402617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.402617 (E_RNA)
where:
Base-Base interactions energy: -129.228
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.443
local terms energy: -67.730747
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.357
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: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -153.734947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.734947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.734947 (E_RNA)
where:
Base-Base interactions energy: -91.154
where: short stacking energy: -42.897
Base-Backbone interact. energy: -0.297
local terms energy: -62.284608
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -135.385154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.385154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.385154 (E_RNA)
where:
Base-Base interactions energy: -87.701
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.040
local terms energy: -47.644525
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -88.802266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802266 (E_RNA)
where:
Base-Base interactions energy: -40.815
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.129
local terms energy: -47.857632
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -3.579
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -70.629382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.629382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.629382 (E_RNA)
where:
Base-Base interactions energy: -24.449
where: short stacking energy: -24.449
Base-Backbone interact. energy: -0.055
local terms energy: -46.124939
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -229.218939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.218939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.218939 (E_RNA)
where:
Base-Base interactions energy: -154.116
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.001
local terms energy: -75.101919
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -227.256515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.256515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.256515 (E_RNA)
where:
Base-Base interactions energy: -146.835
where: short stacking energy: -62.101
Base-Backbone interact. energy: -0.016
local terms energy: -80.405910
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -226.215009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.215009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.215009 (E_RNA)
where:
Base-Base interactions energy: -151.241
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.038
local terms energy: -74.936262
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -20.563
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: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -220.952914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.952914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.952914 (E_RNA)
where:
Base-Base interactions energy: -145.673
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.839
local terms energy: -74.440661
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -201.987429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987429 (E_RNA)
where:
Base-Base interactions energy: -135.260
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.005
local terms energy: -66.722189
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -193.910441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.910441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.910441 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.101
local terms energy: -58.825069
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -13.537
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: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -160.207541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.207541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.207541 (E_RNA)
where:
Base-Base interactions energy: -101.387
where: short stacking energy: -47.780
Base-Backbone interact. energy: 0.309
local terms energy: -59.128725
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -137.853280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.853280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.853280 (E_RNA)
where:
Base-Base interactions energy: -83.982
where: short stacking energy: -41.773
Base-Backbone interact. energy: -0.559
local terms energy: -53.312023
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -9.270
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: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -76.322248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.322248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.322248 (E_RNA)
where:
Base-Base interactions energy: -21.152
where: short stacking energy: -18.497
Base-Backbone interact. energy: -0.127
local terms energy: -55.043634
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -7.119
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: 278
Temperature: 1.350000
Total energy: -72.682907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.682907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.682907 (E_RNA)
where:
Base-Base interactions energy: -21.915
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.127
local terms energy: -50.640846
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -242.217957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.217957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.217957 (E_RNA)
where:
Base-Base interactions energy: -172.580
where: short stacking energy: -71.496
Base-Backbone interact. energy: 0.048
local terms energy: -69.686716
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -219.255497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.255497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.255497 (E_RNA)
where:
Base-Base interactions energy: -138.199
where: short stacking energy: -61.777
Base-Backbone interact. energy: -1.735
local terms energy: -79.321877
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.630
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -214.003353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.003353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.003353 (E_RNA)
where:
Base-Base interactions energy: -142.676
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.014
local terms energy: -71.313638
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.101
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -219.784807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.784807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.784807 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.131
local terms energy: -73.590514
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -21.203
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: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -205.940135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.940135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.940135 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.031
local terms energy: -70.529548
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.101
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -198.483988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.483988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.483988 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -57.058
Base-Backbone interact. energy: 0.521
local terms energy: -61.165897
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.224
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: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -151.563250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.563250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.563250 (E_RNA)
where:
Base-Base interactions energy: -87.857
where: short stacking energy: -41.994
Base-Backbone interact. energy: -0.420
local terms energy: -63.286765
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -145.186641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.186641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.186641 (E_RNA)
where:
Base-Base interactions energy: -90.044
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.036
local terms energy: -55.106034
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -78.052259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.052259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.052259 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.013
local terms energy: -51.598015
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.397213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.397213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.397213 (E_RNA)
where:
Base-Base interactions energy: -21.333
where: short stacking energy: -21.099
Base-Backbone interact. energy: -0.413
local terms energy: -58.650508
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -10.520
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -233.179348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.179348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.179348 (E_RNA)
where:
Base-Base interactions energy: -153.340
where: short stacking energy: -72.090
Base-Backbone interact. energy: -0.631
local terms energy: -79.207926
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -222.176355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.176355 (E_RNA)
where:
Base-Base interactions energy: -143.867
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.416
local terms energy: -77.893755
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -228.424398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.424398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.424398 (E_RNA)
where:
Base-Base interactions energy: -158.750
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.001
local terms energy: -69.673531
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -220.697371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.697371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.697371 (E_RNA)
where:
Base-Base interactions energy: -142.214
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.051
local terms energy: -78.431948
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -19.190
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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -209.802036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.802036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.802036 (E_RNA)
where:
Base-Base interactions energy: -136.535
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.047
local terms energy: -73.220047
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -200.828167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.828167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.828167 (E_RNA)
where:
Base-Base interactions energy: -130.027
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.112
local terms energy: -70.688938
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -17.795
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -148.634241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.634241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.634241 (E_RNA)
where:
Base-Base interactions energy: -94.399
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.028
local terms energy: -54.208075
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -145.275652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.275652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.275652 (E_RNA)
where:
Base-Base interactions energy: -91.347
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.176
local terms energy: -53.752445
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -5.849
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: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -77.517331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517331 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.156
local terms energy: -43.670130
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -73.305505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.305505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.305505 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.100
local terms energy: -44.055315
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -239.143107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.143107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.143107 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -75.471
Base-Backbone interact. energy: -0.016
local terms energy: -77.528422
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -22.322
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: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -215.190597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.190597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.190597 (E_RNA)
where:
Base-Base interactions energy: -136.708
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.007
local terms energy: -78.475578
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -219.130678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.130678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.130678 (E_RNA)
where:
Base-Base interactions energy: -145.349
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.618
local terms energy: -73.163467
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -19.372
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -198.686449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.686449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.686449 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.247
local terms energy: -62.102132
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -13.860
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: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -205.306558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.306558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.306558 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.113
local terms energy: -65.675751
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -12.757
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -196.960461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960461 (E_RNA)
where:
Base-Base interactions energy: -132.716
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.028
local terms energy: -64.216148
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -154.224003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.224003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.224003 (E_RNA)
where:
Base-Base interactions energy: -102.273
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.105
local terms energy: -51.845792
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -140.866312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.866312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.866312 (E_RNA)
where:
Base-Base interactions energy: -83.302
where: short stacking energy: -36.836
Base-Backbone interact. energy: -0.422
local terms energy: -57.142337
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -100.137018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.137018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.137018 (E_RNA)
where:
Base-Base interactions energy: -51.157
where: short stacking energy: -49.262
Base-Backbone interact. energy: -0.007
local terms energy: -48.972930
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -75.606129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.606129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.606129 (E_RNA)
where:
Base-Base interactions energy: -29.122
where: short stacking energy: -23.253
Base-Backbone interact. energy: 0.794
local terms energy: -47.278580
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: 2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -236.416900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.416900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.416900 (E_RNA)
where:
Base-Base interactions energy: -157.976
where: short stacking energy: -71.322
Base-Backbone interact. energy: 0.428
local terms energy: -78.869825
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -22.322
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: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -212.023414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.023414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.023414 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.109
local terms energy: -70.262858
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.448
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -222.580494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.580494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.580494 (E_RNA)
where:
Base-Base interactions energy: -146.521
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.084
local terms energy: -75.975298
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -18.238
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: 282
Temperature: 1.050000
Total energy: -207.949478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.949478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.949478 (E_RNA)
where:
Base-Base interactions energy: -135.386
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.141
local terms energy: -72.423325
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -209.079506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.079506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.079506 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.047
local terms energy: -69.765932
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -202.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800318 (E_RNA)
where:
Base-Base interactions energy: -135.288
where: short stacking energy: -54.935
Base-Backbone interact. energy: 0.512
local terms energy: -68.024681
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -159.986450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.986450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.986450 (E_RNA)
where:
Base-Base interactions energy: -102.889
where: short stacking energy: -48.262
Base-Backbone interact. energy: -0.031
local terms energy: -57.066325
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -156.840427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.840427 (E_RNA)
where:
Base-Base interactions energy: -99.532
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.167
local terms energy: -57.141211
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -76.174879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.174879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.174879 (E_RNA)
where:
Base-Base interactions energy: -30.119
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.100
local terms energy: -45.956446
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -68.773390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.773390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.773390 (E_RNA)
where:
Base-Base interactions energy: -20.764
where: short stacking energy: -20.764
Base-Backbone interact. energy: -0.184
local terms energy: -47.825542
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -233.156759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.156759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.156759 (E_RNA)
where:
Base-Base interactions energy: -155.600
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.123
local terms energy: -77.434256
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.069
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: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -219.472388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.472388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.472388 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.097
local terms energy: -78.314472
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -223.415816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.415816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.415816 (E_RNA)
where:
Base-Base interactions energy: -151.172
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.524
local terms energy: -71.719155
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -220.933820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.933820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.933820 (E_RNA)
where:
Base-Base interactions energy: -145.219
where: short stacking energy: -67.583
Base-Backbone interact. energy: 0.183
local terms energy: -75.897287
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -197.841760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.841760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.841760 (E_RNA)
where:
Base-Base interactions energy: -136.129
where: short stacking energy: -55.854
Base-Backbone interact. energy: 0.598
local terms energy: -62.310047
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -155.210893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.210893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.210893 (E_RNA)
where:
Base-Base interactions energy: -94.466
where: short stacking energy: -49.374
Base-Backbone interact. energy: 0.212
local terms energy: -60.956129
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -213.697856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697856 (E_RNA)
where:
Base-Base interactions energy: -141.690
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.588
local terms energy: -71.419349
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -139.243451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.243451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.243451 (E_RNA)
where:
Base-Base interactions energy: -80.705
where: short stacking energy: -41.373
Base-Backbone interact. energy: -0.305
local terms energy: -58.233089
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -82.563187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563187 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.635
local terms energy: -41.530673
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -81.419274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.419274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.419274 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.035
local terms energy: -54.163454
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -6.764
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -229.993185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.993185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.993185 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.128
local terms energy: -80.454268
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -6.981
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: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -230.678699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.678699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.678699 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.049
local terms energy: -76.313442
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -12.600
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -215.517815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.517815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.517815 (E_RNA)
where:
Base-Base interactions energy: -146.019
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.016
local terms energy: -69.482302
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -208.448309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.448309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.448309 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.100
local terms energy: -70.116698
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -203.689756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689756 (E_RNA)
where:
Base-Base interactions energy: -136.243
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.082
local terms energy: -67.364583
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.673
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: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -138.088462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.088462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.088462 (E_RNA)
where:
Base-Base interactions energy: -84.286
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.488
local terms energy: -53.314150
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -191.172615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.172615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.172615 (E_RNA)
where:
Base-Base interactions energy: -125.576
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.017
local terms energy: -65.579104
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -145.139893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.139893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.139893 (E_RNA)
where:
Base-Base interactions energy: -89.872
where: short stacking energy: -34.090
Base-Backbone interact. energy: -0.044
local terms energy: -55.223625
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -84.184115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.184115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.184115 (E_RNA)
where:
Base-Base interactions energy: -29.451
where: short stacking energy: -22.771
Base-Backbone interact. energy: 0.557
local terms energy: -55.290393
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -89.778241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.778241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.778241 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -26.760
Base-Backbone interact. energy: 0.434
local terms energy: -49.671760
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -6.134
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -225.027458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.027458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.027458 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.221
local terms energy: -70.320527
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -18.955
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -224.310139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310139 (E_RNA)
where:
Base-Base interactions energy: -148.738
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.000
local terms energy: -75.571444
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -22.481
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -219.084784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.084784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.084784 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -62.857
Base-Backbone interact. energy: -0.178
local terms energy: -64.002719
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -15.632
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -206.059286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.059286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.059286 (E_RNA)
where:
Base-Base interactions energy: -132.701
where: short stacking energy: -58.642
Base-Backbone interact. energy: -0.246
local terms energy: -73.112840
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.682
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: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -201.982694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.982694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.982694 (E_RNA)
where:
Base-Base interactions energy: -139.414
where: short stacking energy: -61.034
Base-Backbone interact. energy: -1.121
local terms energy: -61.447594
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -16.993
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: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -168.012062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.012062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.012062 (E_RNA)
where:
Base-Base interactions energy: -110.299
where: short stacking energy: -45.428
Base-Backbone interact. energy: 1.237
local terms energy: -58.950152
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -165.539414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.539414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.539414 (E_RNA)
where:
Base-Base interactions energy: -104.498
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.023
local terms energy: -61.018714
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -13.010
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: 285
Temperature: 1.250000
Total energy: -137.569474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.569474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.569474 (E_RNA)
where:
Base-Base interactions energy: -78.691
where: short stacking energy: -42.218
Base-Backbone interact. energy: -0.499
local terms energy: -58.378781
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -8.560
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: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -82.037502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037502 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -33.049
Base-Backbone interact. energy: 0.266
local terms energy: -45.846252
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -68.002040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.002040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.002040 (E_RNA)
where:
Base-Base interactions energy: -22.011
where: short stacking energy: -12.559
Base-Backbone interact. energy: -0.214
local terms energy: -45.776757
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -2.048
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: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -235.727996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.727996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.727996 (E_RNA)
where:
Base-Base interactions energy: -156.696
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.003
local terms energy: -79.028229
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -219.835929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.835929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.835929 (E_RNA)
where:
Base-Base interactions energy: -141.966
where: short stacking energy: -67.773
Base-Backbone interact. energy: -0.007
local terms energy: -77.863484
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -20.933
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -216.064556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.064556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.064556 (E_RNA)
where:
Base-Base interactions energy: -141.006
where: short stacking energy: -55.980
Base-Backbone interact. energy: -0.409
local terms energy: -74.648884
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -16.983
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: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -224.266539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.266539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.266539 (E_RNA)
where:
Base-Base interactions energy: -149.119
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.002
local terms energy: -75.145449
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -23.007
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: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -201.068248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.068248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.068248 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.117
local terms energy: -55.099508
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -168.933425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.933425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.933425 (E_RNA)
where:
Base-Base interactions energy: -108.827
where: short stacking energy: -52.456
Base-Backbone interact. energy: -0.059
local terms energy: -60.047795
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -149.426307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.426307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.426307 (E_RNA)
where:
Base-Base interactions energy: -85.332
where: short stacking energy: -44.364
Base-Backbone interact. energy: -0.464
local terms energy: -63.630145
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -11.056
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -127.364534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.364534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.364534 (E_RNA)
where:
Base-Base interactions energy: -78.282
where: short stacking energy: -29.448
Base-Backbone interact. energy: 0.042
local terms energy: -49.124492
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -82.756251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756251 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -26.621
Base-Backbone interact. energy: 1.166
local terms energy: -49.082360
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -84.349043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349043 (E_RNA)
where:
Base-Base interactions energy: -45.847
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.286
local terms energy: -38.216336
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -239.626611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.626611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.626611 (E_RNA)
where:
Base-Base interactions energy: -161.883
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.005
local terms energy: -77.739071
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -12.805
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: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -230.972976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.972976 (E_RNA)
where:
Base-Base interactions energy: -156.121
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.014
local terms energy: -74.838050
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -231.016359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.016359 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.001
local terms energy: -82.943300
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -21.599
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: 287
Temperature: 1.050000
Total energy: -207.563323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563323 (E_RNA)
where:
Base-Base interactions energy: -134.787
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.023
local terms energy: -72.753180
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.678
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: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -205.176130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.176130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.176130 (E_RNA)
where:
Base-Base interactions energy: -136.007
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.241
local terms energy: -68.928145
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -169.508883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.508883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.508883 (E_RNA)
where:
Base-Base interactions energy: -108.622
where: short stacking energy: -55.270
Base-Backbone interact. energy: 0.681
local terms energy: -61.567515
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -146.065582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.065582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.065582 (E_RNA)
where:
Base-Base interactions energy: -103.310
where: short stacking energy: -42.774
Base-Backbone interact. energy: -0.148
local terms energy: -42.607331
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -8.314
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -166.957806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.957806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.957806 (E_RNA)
where:
Base-Base interactions energy: -98.350
where: short stacking energy: -47.449
Base-Backbone interact. energy: 0.486
local terms energy: -69.093968
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -86.980529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.980529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.980529 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.091
local terms energy: -54.732558
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -75.082471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.082471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.082471 (E_RNA)
where:
Base-Base interactions energy: -27.650
where: short stacking energy: -27.650
Base-Backbone interact. energy: 0.043
local terms energy: -47.476061
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -2.930
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: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -233.219647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.219647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.219647 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.028
local terms energy: -76.080458
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -22.816
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: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -226.262417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.262417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.262417 (E_RNA)
where:
Base-Base interactions energy: -155.105
where: short stacking energy: -67.713
Base-Backbone interact. energy: -0.170
local terms energy: -70.987631
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -230.891415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.891415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.891415 (E_RNA)
where:
Base-Base interactions energy: -157.129
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.013
local terms energy: -73.749400
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -217.010294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.010294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.010294 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.131
local terms energy: -71.195108
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -16.695
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: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -219.791516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.791516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.791516 (E_RNA)
where:
Base-Base interactions energy: -149.346
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.001
local terms energy: -70.443887
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -209.451619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.451619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.451619 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.009
local terms energy: -72.870460
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -169.056499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.056499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.056499 (E_RNA)
where:
Base-Base interactions energy: -110.108
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.039
local terms energy: -58.909505
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.978
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -174.251521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.251521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.251521 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -49.789
Base-Backbone interact. energy: -0.098
local terms energy: -63.106481
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -11.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -92.128940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128940 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -35.268
Base-Backbone interact. energy: 1.095
local terms energy: -45.315190
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -78.180464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180464 (E_RNA)
where:
Base-Base interactions energy: -25.028
where: short stacking energy: -25.028
Base-Backbone interact. energy: -0.139
local terms energy: -53.013228
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -5.821
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: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -232.320874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.320874 (E_RNA)
where:
Base-Base interactions energy: -155.758
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.049
local terms energy: -76.513830
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -10.210
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -217.094361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.094361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094361 (E_RNA)
where:
Base-Base interactions energy: -141.554
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.032
local terms energy: -75.508131
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -224.483811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.483811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.483811 (E_RNA)
where:
Base-Base interactions energy: -150.947
where: short stacking energy: -66.448
Base-Backbone interact. energy: -0.951
local terms energy: -72.585729
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -206.698857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.698857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.698857 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -64.739
Base-Backbone interact. energy: -1.830
local terms energy: -69.082018
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.964
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: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -204.098589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.098589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098589 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.114
local terms energy: -69.278613
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -203.558835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.558835 (E_RNA)
where:
Base-Base interactions energy: -136.985
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.159
local terms energy: -66.414354
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -162.469592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.469592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.469592 (E_RNA)
where:
Base-Base interactions energy: -97.713
where: short stacking energy: -49.002
Base-Backbone interact. energy: -0.331
local terms energy: -64.425469
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -10.629
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -186.856819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.856819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.856819 (E_RNA)
where:
Base-Base interactions energy: -122.743
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.044
local terms energy: -64.070416
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -76.865101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.865101 (E_RNA)
where:
Base-Base interactions energy: -31.227
where: short stacking energy: -25.556
Base-Backbone interact. energy: 0.766
local terms energy: -46.403897
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -80.796022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796022 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -28.040
Base-Backbone interact. energy: -0.096
local terms energy: -52.660048
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -2.739
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: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -219.197825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197825 (E_RNA)
where:
Base-Base interactions energy: -145.781
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.043
local terms energy: -73.374687
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.092
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: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -216.038603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.038603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.038603 (E_RNA)
where:
Base-Base interactions energy: -138.758
where: short stacking energy: -60.235
Base-Backbone interact. energy: 1.485
local terms energy: -78.766162
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -221.330760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.330760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.330760 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.095
local terms energy: -73.624493
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -22.640
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -213.451093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.451093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.451093 (E_RNA)
where:
Base-Base interactions energy: -150.875
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.479
local terms energy: -62.096660
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -8.596
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -6.781
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: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -218.491189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.491189 (E_RNA)
where:
Base-Base interactions energy: -151.057
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.047
local terms energy: -67.387803
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -2.077
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -200.323745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.323745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.323745 (E_RNA)
where:
Base-Base interactions energy: -137.289
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.046
local terms energy: -62.988858
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -197.159922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.159922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.159922 (E_RNA)
where:
Base-Base interactions energy: -134.425
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.115
local terms energy: -62.620566
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -15.133
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -139.219402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.219402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.219402 (E_RNA)
where:
Base-Base interactions energy: -84.318
where: short stacking energy: -39.825
Base-Backbone interact. energy: -0.109
local terms energy: -54.792516
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -5.141
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: 290
Temperature: 1.300000
Total energy: -75.472414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.472414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.472414 (E_RNA)
where:
Base-Base interactions energy: -27.102
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.310
local terms energy: -48.060192
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -90.067821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.067821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.067821 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -24.862
Base-Backbone interact. energy: 1.503
local terms energy: -51.493941
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -237.565922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.565922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.565922 (E_RNA)
where:
Base-Base interactions energy: -163.203
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.280
local terms energy: -74.082886
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -224.321991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.321991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.321991 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.879
local terms energy: -67.949159
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -15.639
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -216.295669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.295669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.295669 (E_RNA)
where:
Base-Base interactions energy: -138.648
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.000
local terms energy: -77.647089
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -218.847755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.847755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.847755 (E_RNA)
where:
Base-Base interactions energy: -147.667
where: short stacking energy: -62.346
Base-Backbone interact. energy: -1.133
local terms energy: -70.048344
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -17.430
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: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -203.900505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.900505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.900505 (E_RNA)
where:
Base-Base interactions energy: -138.852
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.547
local terms energy: -64.501488
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -15.116
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -204.151402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.151402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.151402 (E_RNA)
where:
Base-Base interactions energy: -134.089
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.611
local terms energy: -69.450691
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -189.699913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.699913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.699913 (E_RNA)
where:
Base-Base interactions energy: -128.204
where: short stacking energy: -50.967
Base-Backbone interact. energy: -0.611
local terms energy: -60.884448
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -134.158202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.158202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.158202 (E_RNA)
where:
Base-Base interactions energy: -73.662
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.361
local terms energy: -60.135433
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -5.639
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -83.360249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360249 (E_RNA)
where:
Base-Base interactions energy: -25.674
where: short stacking energy: -25.674
Base-Backbone interact. energy: -0.100
local terms energy: -57.586244
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.119204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.119204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.119204 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.201
local terms energy: -47.708263
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -224.420061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.420061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.420061 (E_RNA)
where:
Base-Base interactions energy: -145.950
where: short stacking energy: -65.822
Base-Backbone interact. energy: -1.270
local terms energy: -77.199685
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -231.404430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.404430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.404430 (E_RNA)
where:
Base-Base interactions energy: -157.243
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.147
local terms energy: -74.013868
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -225.723207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.723207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.723207 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -72.857
Base-Backbone interact. energy: -1.205
local terms energy: -70.670782
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -223.412028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412028 (E_RNA)
where:
Base-Base interactions energy: -141.759
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.861
local terms energy: -80.792147
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -215.865903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865903 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.043
local terms energy: -74.589833
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.788
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: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -199.242973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.242973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.242973 (E_RNA)
where:
Base-Base interactions energy: -122.037
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.142
local terms energy: -77.064412
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -197.642855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.642855 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.101
local terms energy: -66.332065
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -14.692
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: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -143.390682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.390682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.390682 (E_RNA)
where:
Base-Base interactions energy: -92.013
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.035
local terms energy: -51.342311
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -1.535
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -88.128472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128472 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.014
local terms energy: -55.545941
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -75.005682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.005682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.005682 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -25.482
Base-Backbone interact. energy: 1.647
local terms energy: -50.031165
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 0.144
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: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -232.160105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.160105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.160105 (E_RNA)
where:
Base-Base interactions energy: -157.423
where: short stacking energy: -66.274
Base-Backbone interact. energy: 0.372
local terms energy: -75.109620
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -20.174
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: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -222.414173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.414173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.414173 (E_RNA)
where:
Base-Base interactions energy: -146.801
where: short stacking energy: -66.719
Base-Backbone interact. energy: -1.007
local terms energy: -74.605657
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -221.824600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.824600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.824600 (E_RNA)
where:
Base-Base interactions energy: -149.829
where: short stacking energy: -68.856
Base-Backbone interact. energy: -1.051
local terms energy: -70.944651
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -214.013877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013877 (E_RNA)
where:
Base-Base interactions energy: -140.039
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.014
local terms energy: -73.961089
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -210.773236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.773236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.773236 (E_RNA)
where:
Base-Base interactions energy: -146.082
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.390
local terms energy: -64.300665
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -17.153
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -191.457701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.457701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.457701 (E_RNA)
where:
Base-Base interactions energy: -125.050
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.750
local terms energy: -65.658130
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -16.042
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: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -208.974221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974221 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.014
local terms energy: -70.372679
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -149.114683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.114683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.114683 (E_RNA)
where:
Base-Base interactions energy: -104.036
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.121
local terms energy: -44.957046
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.764778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.764778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.764778 (E_RNA)
where:
Base-Base interactions energy: -24.366
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.216
local terms energy: -57.182960
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -7.441
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: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -73.607566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.607566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.607566 (E_RNA)
where:
Base-Base interactions energy: -22.010
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.123
local terms energy: -51.474863
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -1.842
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -241.701896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.701896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.701896 (E_RNA)
where:
Base-Base interactions energy: -168.077
where: short stacking energy: -72.061
Base-Backbone interact. energy: -0.002
local terms energy: -73.623297
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.433
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: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -233.484391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.484391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.484391 (E_RNA)
where:
Base-Base interactions energy: -153.441
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.236
local terms energy: -79.807324
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -19.951
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: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -216.602946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.602946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.602946 (E_RNA)
where:
Base-Base interactions energy: -146.134
where: short stacking energy: -56.620
Base-Backbone interact. energy: 0.611
local terms energy: -71.080327
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -18.442
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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -215.584883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.584883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.584883 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -67.889
Base-Backbone interact. energy: -1.583
local terms energy: -68.802195
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -210.303780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303780 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -63.570
Base-Backbone interact. energy: 1.019
local terms energy: -68.394595
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -8.467
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -200.918427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.918427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.918427 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.093
local terms energy: -61.305305
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -16.268
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -201.871265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.871265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.871265 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.343
local terms energy: -70.413589
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -162.044135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.044135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.044135 (E_RNA)
where:
Base-Base interactions energy: -97.946
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.922
local terms energy: -63.176002
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -14.682
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: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -84.467946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467946 (E_RNA)
where:
Base-Base interactions energy: -28.254
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.326
local terms energy: -55.887150
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.894
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: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -66.666494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.666494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.666494 (E_RNA)
where:
Base-Base interactions energy: -21.210
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.193
local terms energy: -45.263633
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: 5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -225.069508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.069508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.069508 (E_RNA)
where:
Base-Base interactions energy: -151.292
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.001
local terms energy: -73.776526
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -226.486854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.486854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.486854 (E_RNA)
where:
Base-Base interactions energy: -150.520
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.011
local terms energy: -75.955945
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -17.247
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -227.269498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.269498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.269498 (E_RNA)
where:
Base-Base interactions energy: -155.113
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.118
local terms energy: -72.038968
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -22.175
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: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -213.861727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.861727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.861727 (E_RNA)
where:
Base-Base interactions energy: -145.717
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.110
local terms energy: -68.034781
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.423
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: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -194.594218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.594218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.594218 (E_RNA)
where:
Base-Base interactions energy: -137.534
where: short stacking energy: -58.871
Base-Backbone interact. energy: 0.261
local terms energy: -57.321530
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -213.956126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.956126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.956126 (E_RNA)
where:
Base-Base interactions energy: -143.865
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.075
local terms energy: -70.016264
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -193.964181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.964181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.964181 (E_RNA)
where:
Base-Base interactions energy: -127.623
where: short stacking energy: -56.471
Base-Backbone interact. energy: 0.535
local terms energy: -66.876515
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -158.879720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.879720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.879720 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -40.325
Base-Backbone interact. energy: 0.608
local terms energy: -63.839047
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -10.340
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: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.214651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214651 (E_RNA)
where:
Base-Base interactions energy: -24.748
where: short stacking energy: -24.748
Base-Backbone interact. energy: -0.055
local terms energy: -59.411695
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.368946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.368946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.368946 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.238
local terms energy: -47.912354
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -7.375
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -229.674475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.674475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.674475 (E_RNA)
where:
Base-Base interactions energy: -155.338
where: short stacking energy: -73.649
Base-Backbone interact. energy: -0.243
local terms energy: -74.093746
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -225.807992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.807992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.807992 (E_RNA)
where:
Base-Base interactions energy: -149.122
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.253
local terms energy: -76.432828
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -18.614
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: 296
Temperature: 1.000000
Total energy: -222.669755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669755 (E_RNA)
where:
Base-Base interactions energy: -147.016
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.030
local terms energy: -75.623127
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -217.199949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.199949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.199949 (E_RNA)
where:
Base-Base interactions energy: -154.777
where: short stacking energy: -64.514
Base-Backbone interact. energy: -0.591
local terms energy: -61.832315
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -16.568
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: 296
Temperature: 1.100000
Total energy: -206.040026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.040026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.040026 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.088
local terms energy: -68.679139
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -208.669566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.669566 (E_RNA)
where:
Base-Base interactions energy: -133.685
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.166
local terms energy: -74.818015
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -194.866383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.866383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.866383 (E_RNA)
where:
Base-Base interactions energy: -127.254
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.006
local terms energy: -67.606551
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -14.309
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: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -148.041581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.041581 (E_RNA)
where:
Base-Base interactions energy: -87.534
where: short stacking energy: -45.131
Base-Backbone interact. energy: 0.221
local terms energy: -60.729142
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -87.768927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.768927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.768927 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -21.574
Base-Backbone interact. energy: -0.175
local terms energy: -56.386140
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.253872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253872 (E_RNA)
where:
Base-Base interactions energy: -22.525
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.010
local terms energy: -55.718963
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -11.181
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: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -231.381727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.381727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.381727 (E_RNA)
where:
Base-Base interactions energy: -157.095
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.773
local terms energy: -73.514055
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -216.418353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.418353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.418353 (E_RNA)
where:
Base-Base interactions energy: -150.210
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.077
local terms energy: -66.130740
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -218.225577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.225577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.225577 (E_RNA)
where:
Base-Base interactions energy: -140.122
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.136
local terms energy: -77.967219
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -21.227
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: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -208.232460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.232460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.232460 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.020
local terms energy: -71.006410
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.375
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: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -198.356806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.356806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356806 (E_RNA)
where:
Base-Base interactions energy: -127.373
where: short stacking energy: -55.642
Base-Backbone interact. energy: -0.495
local terms energy: -70.489386
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -199.616403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.616403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.616403 (E_RNA)
where:
Base-Base interactions energy: -130.460
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.247
local terms energy: -68.909551
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -193.048451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.048451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048451 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.292
local terms energy: -67.020875
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -91.406149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.406149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.406149 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -15.704
Base-Backbone interact. energy: -0.144
local terms energy: -51.997978
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -136.913384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.913384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.913384 (E_RNA)
where:
Base-Base interactions energy: -86.228
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.285
local terms energy: -50.400089
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -6.575
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -74.179764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.179764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.179764 (E_RNA)
where:
Base-Base interactions energy: -26.733
where: short stacking energy: -20.771
Base-Backbone interact. energy: -0.101
local terms energy: -47.345830
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -241.471390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.471390 (E_RNA)
where:
Base-Base interactions energy: -159.668
where: short stacking energy: -72.207
Base-Backbone interact. energy: -3.387
local terms energy: -78.416605
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -223.204913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.204913 (E_RNA)
where:
Base-Base interactions energy: -152.268
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.200
local terms energy: -70.736971
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -13.485
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: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -229.521887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.521887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.521887 (E_RNA)
where:
Base-Base interactions energy: -152.187
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.142
local terms energy: -77.192793
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -216.382872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.382872 (E_RNA)
where:
Base-Base interactions energy: -142.498
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.403
local terms energy: -73.482507
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -16.286
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -202.336082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.336082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.336082 (E_RNA)
where:
Base-Base interactions energy: -140.508
where: short stacking energy: -63.306
Base-Backbone interact. energy: -1.134
local terms energy: -60.693446
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -213.031113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.031113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.031113 (E_RNA)
where:
Base-Base interactions energy: -144.274
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.052
local terms energy: -68.705571
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -190.995457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.995457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.995457 (E_RNA)
where:
Base-Base interactions energy: -117.022
where: short stacking energy: -52.223
Base-Backbone interact. energy: 0.320
local terms energy: -74.293586
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.469
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: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -82.962566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.962566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.962566 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.050
local terms energy: -46.851753
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -140.530851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.530851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.530851 (E_RNA)
where:
Base-Base interactions energy: -91.625
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.101
local terms energy: -48.804910
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -76.036747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.036747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.036747 (E_RNA)
where:
Base-Base interactions energy: -24.392
where: short stacking energy: -22.684
Base-Backbone interact. energy: -0.063
local terms energy: -51.582080
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -225.341085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.341085 (E_RNA)
where:
Base-Base interactions energy: -151.787
where: short stacking energy: -68.571
Base-Backbone interact. energy: -1.904
local terms energy: -71.650267
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -228.785896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.785896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.785896 (E_RNA)
where:
Base-Base interactions energy: -152.690
where: short stacking energy: -75.790
Base-Backbone interact. energy: -0.017
local terms energy: -76.079317
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.936
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: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -213.684540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.684540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.684540 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -67.627
Base-Backbone interact. energy: 0.553
local terms energy: -68.061562
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -17.012
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: 299
Temperature: 1.050000
Total energy: -215.662761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.662761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.662761 (E_RNA)
where:
Base-Base interactions energy: -141.695
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.629
local terms energy: -73.339090
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -10.491
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -207.483393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.483393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.483393 (E_RNA)
where:
Base-Base interactions energy: -139.328
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.003
local terms energy: -68.151768
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -193.403776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.403776 (E_RNA)
where:
Base-Base interactions energy: -129.555
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.056
local terms energy: -63.792640
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -14.945
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: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -190.248259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.248259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.248259 (E_RNA)
where:
Base-Base interactions energy: -124.470
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.451
local terms energy: -65.327360
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -15.629
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -141.505919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.505919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.505919 (E_RNA)
where:
Base-Base interactions energy: -85.987
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.109
local terms energy: -55.409952
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -86.914759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.914759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.914759 (E_RNA)
where:
Base-Base interactions energy: -28.947
where: short stacking energy: -23.047
Base-Backbone interact. energy: 0.023
local terms energy: -57.991210
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -84.321051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.321051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.321051 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -22.906
Base-Backbone interact. energy: 0.751
local terms energy: -52.127578
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -236.080737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.080737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.080737 (E_RNA)
where:
Base-Base interactions energy: -153.079
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.776
local terms energy: -82.225175
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.930
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: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -230.556909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556909 (E_RNA)
where:
Base-Base interactions energy: -151.566
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.302
local terms energy: -78.688753
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -210.009144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.009144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.009144 (E_RNA)
where:
Base-Base interactions energy: -142.629
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.003
local terms energy: -67.377950
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -18.390
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: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -212.806393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.806393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.806393 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.038
local terms energy: -71.811654
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -203.163252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.163252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.163252 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.072
local terms energy: -60.524528
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -200.004150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.004150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.004150 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.052
local terms energy: -71.524031
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -152.873475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.873475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.873475 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -45.924
Base-Backbone interact. energy: 0.139
local terms energy: -55.788433
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.131
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: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -143.737550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.737550 (E_RNA)
where:
Base-Base interactions energy: -84.742
where: short stacking energy: -42.575
Base-Backbone interact. energy: 2.247
local terms energy: -61.242400
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.895
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: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -75.527641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.527641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.527641 (E_RNA)
where:
Base-Base interactions energy: -22.632
where: short stacking energy: -21.832
Base-Backbone interact. energy: -0.186
local terms energy: -52.709649
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -72.601637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.601637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.601637 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -29.848
Base-Backbone interact. energy: 1.000
local terms energy: -41.327835
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -4.493
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -235.551456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.551456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.551456 (E_RNA)
where:
Base-Base interactions energy: -154.054
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.662
local terms energy: -80.834958
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -217.152098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.152098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.152098 (E_RNA)
where:
Base-Base interactions energy: -141.734
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.002
local terms energy: -75.416345
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -225.762401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.762401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.762401 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -70.200
Base-Backbone interact. energy: -1.456
local terms energy: -71.195170
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -214.940980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.940980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.940980 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.087
local terms energy: -67.823956
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -14.384
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: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -208.070637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.070637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070637 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.006
local terms energy: -64.880537
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -5.792
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: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -202.826494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826494 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -56.841
Base-Backbone interact. energy: 1.160
local terms energy: -67.231843
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -15.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -147.229841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.229841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.229841 (E_RNA)
where:
Base-Base interactions energy: -92.777
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.136
local terms energy: -54.316868
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -127.575800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.575800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.575800 (E_RNA)
where:
Base-Base interactions energy: -76.712
where: short stacking energy: -30.412
Base-Backbone interact. energy: 0.361
local terms energy: -51.225009
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -74.407437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.407437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.407437 (E_RNA)
where:
Base-Base interactions energy: -23.166
where: short stacking energy: -22.858
Base-Backbone interact. energy: -1.040
local terms energy: -50.200766
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: 1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -72.874114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.874114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.874114 (E_RNA)
where:
Base-Base interactions energy: -24.842
where: short stacking energy: -24.842
Base-Backbone interact. energy: -0.149
local terms energy: -47.883426
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -233.117519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.117519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.117519 (E_RNA)
where:
Base-Base interactions energy: -162.113
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.014
local terms energy: -70.990389
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.537
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -224.132651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.132651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.132651 (E_RNA)
where:
Base-Base interactions energy: -149.289
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.135
local terms energy: -74.708635
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.493
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: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -223.102840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.102840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.102840 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.117
local terms energy: -77.366793
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -22.036
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: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -206.598739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.598739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.598739 (E_RNA)
where:
Base-Base interactions energy: -135.540
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.036
local terms energy: -71.022326
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -5.382
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: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -217.767814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.767814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.767814 (E_RNA)
where:
Base-Base interactions energy: -140.847
where: short stacking energy: -62.347
Base-Backbone interact. energy: 0.283
local terms energy: -77.204017
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -209.279037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.279037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.279037 (E_RNA)
where:
Base-Base interactions energy: -132.608
where: short stacking energy: -66.391
Base-Backbone interact. energy: 0.091
local terms energy: -76.762093
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.758
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: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -156.305738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.305738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.305738 (E_RNA)
where:
Base-Base interactions energy: -97.765
where: short stacking energy: -50.061
Base-Backbone interact. energy: -0.035
local terms energy: -58.505857
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -137.722925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.722925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.722925 (E_RNA)
where:
Base-Base interactions energy: -79.181
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.456
local terms energy: -58.085977
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -79.129039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129039 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -19.134
Base-Backbone interact. energy: -0.194
local terms energy: -43.118451
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -80.564863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.564863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.564863 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.182
local terms energy: -47.113632
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -226.006497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006497 (E_RNA)
where:
Base-Base interactions energy: -148.207
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.032
local terms energy: -77.767178
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -214.393165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.393165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.393165 (E_RNA)
where:
Base-Base interactions energy: -142.887
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.006
local terms energy: -71.500612
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -210.861210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861210 (E_RNA)
where:
Base-Base interactions energy: -137.722
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.005
local terms energy: -73.134144
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -11.644
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -209.114585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.114585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.114585 (E_RNA)
where:
Base-Base interactions energy: -130.720
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.015
local terms energy: -78.379532
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -16.086
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: 303
Temperature: 1.100000
Total energy: -210.827781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.827781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.827781 (E_RNA)
where:
Base-Base interactions energy: -137.030
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.271
local terms energy: -73.525955
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -201.729711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.729711 (E_RNA)
where:
Base-Base interactions energy: -134.232
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.880
local terms energy: -66.618032
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -9.750
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: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -155.519185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.519185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.519185 (E_RNA)
where:
Base-Base interactions energy: -98.686
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.024
local terms energy: -56.808815
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -136.224637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.224637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.224637 (E_RNA)
where:
Base-Base interactions energy: -83.815
where: short stacking energy: -38.577
Base-Backbone interact. energy: -0.074
local terms energy: -52.335491
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -5.896
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: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -86.558365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.558365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.558365 (E_RNA)
where:
Base-Base interactions energy: -32.000
where: short stacking energy: -27.148
Base-Backbone interact. energy: -0.683
local terms energy: -53.875096
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -73.615350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.615350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.615350 (E_RNA)
where:
Base-Base interactions energy: -25.270
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.046
local terms energy: -48.300204
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -232.818623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.818623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.818623 (E_RNA)
where:
Base-Base interactions energy: -158.536
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.673
local terms energy: -73.609688
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -22.454
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -217.552068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.552068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.552068 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.727
local terms energy: -73.814803
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.989
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -217.599392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599392 (E_RNA)
where:
Base-Base interactions energy: -146.100
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.355
local terms energy: -71.144969
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -210.233798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233798 (E_RNA)
where:
Base-Base interactions energy: -132.678
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.297
local terms energy: -77.258280
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -204.553751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.553751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553751 (E_RNA)
where:
Base-Base interactions energy: -132.054
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.023
local terms energy: -72.476510
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -211.047722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047722 (E_RNA)
where:
Base-Base interactions energy: -140.020
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.107
local terms energy: -70.920498
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -139.551575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.551575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.551575 (E_RNA)
where:
Base-Base interactions energy: -78.645
where: short stacking energy: -32.440
Base-Backbone interact. energy: -0.062
local terms energy: -60.844201
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -147.561103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.561103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.561103 (E_RNA)
where:
Base-Base interactions energy: -96.047
where: short stacking energy: -41.119
Base-Backbone interact. energy: -0.352
local terms energy: -51.162180
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -87.964393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.964393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.964393 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.127
local terms energy: -57.424431
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.394867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.394867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.394867 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.383
local terms energy: -37.202880
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -231.436181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.436181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.436181 (E_RNA)
where:
Base-Base interactions energy: -158.040
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.103
local terms energy: -73.293495
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -18.869
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -233.515433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.515433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.515433 (E_RNA)
where:
Base-Base interactions energy: -160.778
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.004
local terms energy: -72.733691
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -5.729
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -228.251999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.251999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.251999 (E_RNA)
where:
Base-Base interactions energy: -145.188
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.003
local terms energy: -83.060539
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -209.205208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205208 (E_RNA)
where:
Base-Base interactions energy: -143.614
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.870
local terms energy: -64.721222
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -6.263
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -209.921638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.921638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.921638 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.087
local terms energy: -70.258326
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -207.330280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.330280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.330280 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -61.253
Base-Backbone interact. energy: -0.007
local terms energy: -76.323006
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -18.737
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: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -153.133808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.133808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.133808 (E_RNA)
where:
Base-Base interactions energy: -87.110
where: short stacking energy: -48.177
Base-Backbone interact. energy: -1.433
local terms energy: -64.590806
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -14.644
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: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -146.850322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.850322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.850322 (E_RNA)
where:
Base-Base interactions energy: -82.833
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.121
local terms energy: -63.895694
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -8.194
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: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.402639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.402639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.402639 (E_RNA)
where:
Base-Base interactions energy: -36.060
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.027
local terms energy: -40.315282
where:
bonds (distance) C4'-P energy: -7.351
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -82.643859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643859 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.491
local terms energy: -56.781673
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -3.711
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -233.466181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.466181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.466181 (E_RNA)
where:
Base-Base interactions energy: -163.318
where: short stacking energy: -72.091
Base-Backbone interact. energy: 1.284
local terms energy: -71.432055
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -230.875381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.875381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.875381 (E_RNA)
where:
Base-Base interactions energy: -153.134
where: short stacking energy: -71.578
Base-Backbone interact. energy: -0.214
local terms energy: -77.528146
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -21.775
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: 306
Temperature: 1.000000
Total energy: -219.019133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.019133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.019133 (E_RNA)
where:
Base-Base interactions energy: -147.632
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.001
local terms energy: -71.386276
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -20.973
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -217.769709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.769709 (E_RNA)
where:
Base-Base interactions energy: -144.784
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.043
local terms energy: -72.942882
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -18.422
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: 306
Temperature: 1.100000
Total energy: -213.975639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.975639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.975639 (E_RNA)
where:
Base-Base interactions energy: -140.494
where: short stacking energy: -61.726
Base-Backbone interact. energy: -2.791
local terms energy: -70.691168
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -198.996536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.996536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.996536 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.621
local terms energy: -71.958739
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -19.148
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -193.309992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.309992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.309992 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -54.563
Base-Backbone interact. energy: -1.113
local terms energy: -64.153202
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -155.127570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.127570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.127570 (E_RNA)
where:
Base-Base interactions energy: -91.475
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.687
local terms energy: -62.965698
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -75.623891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.623891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.623891 (E_RNA)
where:
Base-Base interactions energy: -23.756
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.227
local terms energy: -51.641734
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 0.311
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: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -72.837121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.837121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.837121 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -21.764
Base-Backbone interact. energy: -0.795
local terms energy: -47.531282
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -227.749778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.749778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.749778 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.384
local terms energy: -72.064273
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -223.604290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604290 (E_RNA)
where:
Base-Base interactions energy: -159.042
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.112
local terms energy: -64.449756
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.134
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: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -222.254341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.254341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.254341 (E_RNA)
where:
Base-Base interactions energy: -150.980
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.017
local terms energy: -71.257656
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -13.933
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: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -213.426603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426603 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.008
local terms energy: -72.258011
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -210.636865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.636865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.636865 (E_RNA)
where:
Base-Base interactions energy: -141.279
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.119
local terms energy: -69.238604
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -14.783
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: 307
Temperature: 1.150000
Total energy: -188.853967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853967 (E_RNA)
where:
Base-Base interactions energy: -131.861
where: short stacking energy: -54.707
Base-Backbone interact. energy: 0.943
local terms energy: -57.935692
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -195.006518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.006518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.006518 (E_RNA)
where:
Base-Base interactions energy: -126.588
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.026
local terms energy: -68.392990
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -148.548321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.548321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.548321 (E_RNA)
where:
Base-Base interactions energy: -93.297
where: short stacking energy: -54.120
Base-Backbone interact. energy: 1.257
local terms energy: -56.508765
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -12.391
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: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -82.754379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754379 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.327
local terms energy: -56.579114
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -4.574
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: 307
Temperature: 1.350000
Total energy: -81.135439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135439 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -20.827
Base-Backbone interact. energy: -0.168
local terms energy: -43.933506
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -221.821801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.821801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.821801 (E_RNA)
where:
Base-Base interactions energy: -146.837
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.019
local terms energy: -74.965989
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -216.038350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.038350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.038350 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.126
local terms energy: -72.019349
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -213.906274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.906274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.906274 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.036
local terms energy: -73.874427
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -20.104
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: 308
Temperature: 1.050000
Total energy: -225.063023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.063023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.063023 (E_RNA)
where:
Base-Base interactions energy: -149.712
where: short stacking energy: -65.548
Base-Backbone interact. energy: -0.294
local terms energy: -75.057475
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -199.629187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.629187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.629187 (E_RNA)
where:
Base-Base interactions energy: -134.353
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.278
local terms energy: -64.998032
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -203.838750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.838750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.838750 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.003
local terms energy: -66.028874
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -17.551
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -159.289193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.289193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.289193 (E_RNA)
where:
Base-Base interactions energy: -102.073
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.014
local terms energy: -57.201744
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -147.794257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.794257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.794257 (E_RNA)
where:
Base-Base interactions energy: -83.621
where: short stacking energy: -43.480
Base-Backbone interact. energy: -0.174
local terms energy: -63.999180
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -89.623811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.623811 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -34.006
Base-Backbone interact. energy: 1.026
local terms energy: -49.447090
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -3.966
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -8.151
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: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -76.130421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.130421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.130421 (E_RNA)
where:
Base-Base interactions energy: -30.029
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.111
local terms energy: -45.990222
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -237.333152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.333152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.333152 (E_RNA)
where:
Base-Base interactions energy: -157.142
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.920
local terms energy: -79.271775
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.176
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: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -226.820330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.820330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.820330 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -69.864
Base-Backbone interact. energy: -1.217
local terms energy: -81.789705
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -224.879584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.879584 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.001
local terms energy: -73.577842
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -8.576
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: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -223.285076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.285076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.285076 (E_RNA)
where:
Base-Base interactions energy: -151.953
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.013
local terms energy: -71.319071
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -213.087404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.087404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.087404 (E_RNA)
where:
Base-Base interactions energy: -142.203
where: short stacking energy: -66.005
Base-Backbone interact. energy: -1.393
local terms energy: -69.490627
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -198.913350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913350 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.998
local terms energy: -64.237371
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.324
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -145.406088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.406088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.406088 (E_RNA)
where:
Base-Base interactions energy: -87.742
where: short stacking energy: -45.349
Base-Backbone interact. energy: -1.124
local terms energy: -56.540158
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -10.629
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: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -152.964108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.964108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.964108 (E_RNA)
where:
Base-Base interactions energy: -101.981
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.169
local terms energy: -50.814321
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -11.871
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: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -76.027812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.027812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.027812 (E_RNA)
where:
Base-Base interactions energy: -32.166
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.370
local terms energy: -43.492096
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -1.189
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: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -71.841025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.841025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.841025 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.034
local terms energy: -41.051297
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -7.641
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -8.513
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: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -234.303889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.303889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.303889 (E_RNA)
where:
Base-Base interactions energy: -157.088
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.117
local terms energy: -77.098524
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -19.839
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -229.345829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.345829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.345829 (E_RNA)
where:
Base-Base interactions energy: -151.966
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.692
local terms energy: -76.687402
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -222.390418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.390418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.390418 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.553
local terms energy: -73.239219
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -18.789
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -215.249164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.249164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.249164 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.134
local terms energy: -71.144418
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.134
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -202.602771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602771 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.111
local terms energy: -69.695614
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -198.331934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.331934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.331934 (E_RNA)
where:
Base-Base interactions energy: -129.705
where: short stacking energy: -51.719
Base-Backbone interact. energy: -0.002
local terms energy: -68.624570
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -12.288
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: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -160.289849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.289849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.289849 (E_RNA)
where:
Base-Base interactions energy: -102.233
where: short stacking energy: -50.698
Base-Backbone interact. energy: -0.011
local terms energy: -58.046484
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -190.009596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.009596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.009596 (E_RNA)
where:
Base-Base interactions energy: -125.902
where: short stacking energy: -55.885
Base-Backbone interact. energy: 0.485
local terms energy: -64.592443
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -77.226869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.226869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.226869 (E_RNA)
where:
Base-Base interactions energy: -24.176
where: short stacking energy: -24.066
Base-Backbone interact. energy: -0.111
local terms energy: -52.939612
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -69.567576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.567576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.567576 (E_RNA)
where:
Base-Base interactions energy: -23.250
where: short stacking energy: -17.516
Base-Backbone interact. energy: 1.464
local terms energy: -47.781297
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -1.778
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -236.601750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.601750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.601750 (E_RNA)
where:
Base-Base interactions energy: -157.782
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.029
local terms energy: -78.790424
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -22.632
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: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -232.621036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.621036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.621036 (E_RNA)
where:
Base-Base interactions energy: -157.994
where: short stacking energy: -68.257
Base-Backbone interact. energy: -3.066
local terms energy: -71.560482
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -212.027507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.027507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.027507 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.002
local terms energy: -78.120247
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -206.184612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184612 (E_RNA)
where:
Base-Base interactions energy: -140.197
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.053
local terms energy: -65.934601
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -14.867
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -209.134174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.134174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.134174 (E_RNA)
where:
Base-Base interactions energy: -135.202
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.949
local terms energy: -72.982698
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.517
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: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -201.434879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.434879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.434879 (E_RNA)
where:
Base-Base interactions energy: -132.835
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.108
local terms energy: -68.491837
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -188.330829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.330829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.330829 (E_RNA)
where:
Base-Base interactions energy: -121.611
where: short stacking energy: -59.747
Base-Backbone interact. energy: -3.066
local terms energy: -63.653404
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -15.462
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -142.886558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.886558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.886558 (E_RNA)
where:
Base-Base interactions energy: -84.540
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.295
local terms energy: -58.052165
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -11.239
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: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -77.025056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025056 (E_RNA)
where:
Base-Base interactions energy: -25.269
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.098
local terms energy: -51.658207
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -10.674
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: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -78.572464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572464 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -16.468
Base-Backbone interact. energy: -0.257
local terms energy: -44.063828
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: 1.325
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -238.583196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.583196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.583196 (E_RNA)
where:
Base-Base interactions energy: -161.962
where: short stacking energy: -70.955
Base-Backbone interact. energy: 1.162
local terms energy: -77.783154
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -218.946667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.946667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.946667 (E_RNA)
where:
Base-Base interactions energy: -142.908
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.217
local terms energy: -75.821546
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -214.153854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.153854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.153854 (E_RNA)
where:
Base-Base interactions energy: -136.796
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.001
local terms energy: -77.356970
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.100
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: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -214.385206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.385206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.385206 (E_RNA)
where:
Base-Base interactions energy: -142.763
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.275
local terms energy: -71.347162
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -19.874
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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -216.145763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.145763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.145763 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -63.625
Base-Backbone interact. energy: 0.753
local terms energy: -76.027572
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -21.983
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: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -200.337091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337091 (E_RNA)
where:
Base-Base interactions energy: -137.146
where: short stacking energy: -68.155
Base-Backbone interact. energy: -1.358
local terms energy: -61.832842
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -11.819
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -153.313482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.313482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.313482 (E_RNA)
where:
Base-Base interactions energy: -92.116
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.052
local terms energy: -61.145609
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -188.342630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.342630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.342630 (E_RNA)
where:
Base-Base interactions energy: -118.048
where: short stacking energy: -44.867
Base-Backbone interact. energy: -1.292
local terms energy: -69.002770
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -11.579
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: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -86.538270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.538270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.538270 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -21.461
Base-Backbone interact. energy: -0.281
local terms energy: -50.748961
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -73.449260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.449260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.449260 (E_RNA)
where:
Base-Base interactions energy: -22.522
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.578
local terms energy: -50.349285
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -244.642650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.642650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.642650 (E_RNA)
where:
Base-Base interactions energy: -159.047
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.002
local terms energy: -85.593477
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -223.498056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.498056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498056 (E_RNA)
where:
Base-Base interactions energy: -146.507
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.040
local terms energy: -76.951052
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -233.942835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.942835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.942835 (E_RNA)
where:
Base-Base interactions energy: -157.537
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.012
local terms energy: -76.394230
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -221.853623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.853623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.853623 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -72.813
Base-Backbone interact. energy: 0.976
local terms energy: -74.359124
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -19.591
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: 313
Temperature: 1.100000
Total energy: -222.894414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.894414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.894414 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.575
local terms energy: -76.665507
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -186.223459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.223459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.223459 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -57.233
Base-Backbone interact. energy: -0.071
local terms energy: -58.554038
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -146.939368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.939368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.939368 (E_RNA)
where:
Base-Base interactions energy: -93.628
where: short stacking energy: -36.177
Base-Backbone interact. energy: -1.528
local terms energy: -51.783542
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -192.468567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.468567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.468567 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.044
local terms energy: -70.724629
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -71.354500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.354500 (E_RNA)
where:
Base-Base interactions energy: -24.346
where: short stacking energy: -25.209
Base-Backbone interact. energy: 1.272
local terms energy: -48.280070
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: 0.751
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: 313
Temperature: 1.350000
Total energy: -78.604780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604780 (E_RNA)
where:
Base-Base interactions energy: -36.505
where: short stacking energy: -16.697
Base-Backbone interact. energy: -0.307
local terms energy: -41.792340
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -8.762
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -233.844153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.844153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.844153 (E_RNA)
where:
Base-Base interactions energy: -159.205
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.001
local terms energy: -74.638466
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -8.232
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: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -227.160361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.160361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.160361 (E_RNA)
where:
Base-Base interactions energy: -152.549
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.684
local terms energy: -73.927236
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -225.030877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.030877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.030877 (E_RNA)
where:
Base-Base interactions energy: -154.197
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.056
local terms energy: -70.777583
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -210.143767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.143767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143767 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.799
local terms energy: -63.972608
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -5.691
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: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -203.693475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693475 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -60.773
Base-Backbone interact. energy: 0.766
local terms energy: -72.334165
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -8.559
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: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -215.172768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.172768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.172768 (E_RNA)
where:
Base-Base interactions energy: -144.604
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.385
local terms energy: -70.183732
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -161.241487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241487 (E_RNA)
where:
Base-Base interactions energy: -99.309
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.007
local terms energy: -61.925185
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -10.915
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -150.993227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.993227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.993227 (E_RNA)
where:
Base-Base interactions energy: -93.769
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.103
local terms energy: -57.120952
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -78.216079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.216079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.216079 (E_RNA)
where:
Base-Base interactions energy: -33.081
where: short stacking energy: -33.081
Base-Backbone interact. energy: 0.131
local terms energy: -45.266160
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -4.079
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -69.896744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.896744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.896744 (E_RNA)
where:
Base-Base interactions energy: -23.375
where: short stacking energy: -23.375
Base-Backbone interact. energy: -0.464
local terms energy: -46.058076
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 1.552
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: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -232.979552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.979552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.979552 (E_RNA)
where:
Base-Base interactions energy: -158.413
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.036
local terms energy: -74.530324
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -210.797460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.797460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.797460 (E_RNA)
where:
Base-Base interactions energy: -145.498
where: short stacking energy: -62.159
Base-Backbone interact. energy: 1.107
local terms energy: -66.406226
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -227.002583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002583 (E_RNA)
where:
Base-Base interactions energy: -153.472
where: short stacking energy: -73.238
Base-Backbone interact. energy: -0.016
local terms energy: -73.514611
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -22.832
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: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -227.079455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079455 (E_RNA)
where:
Base-Base interactions energy: -149.872
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.024
local terms energy: -77.184119
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -7.435
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: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -195.267722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.267722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.267722 (E_RNA)
where:
Base-Base interactions energy: -127.506
where: short stacking energy: -53.567
Base-Backbone interact. energy: -0.164
local terms energy: -67.597000
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -10.808
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: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -200.599881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.599881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.599881 (E_RNA)
where:
Base-Base interactions energy: -139.547
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.119
local terms energy: -60.933383
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -162.972935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.972935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.972935 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.160
local terms energy: -51.566949
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -7.666
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -150.217291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.217291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.217291 (E_RNA)
where:
Base-Base interactions energy: -81.449
where: short stacking energy: -42.272
Base-Backbone interact. energy: -0.590
local terms energy: -68.178562
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -91.806379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.806379 (E_RNA)
where:
Base-Base interactions energy: -42.881
where: short stacking energy: -37.225
Base-Backbone interact. energy: 0.623
local terms energy: -49.548527
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -6.059
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: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -81.431141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.431141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.431141 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.106
local terms energy: -54.888877
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -7.023
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: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -235.044348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.044348 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.002
local terms energy: -79.760664
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -221.881658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.881658 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.071
local terms energy: -75.202860
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -227.712760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.712760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.712760 (E_RNA)
where:
Base-Base interactions energy: -156.169
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.061
local terms energy: -71.482898
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -226.228859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.228859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.228859 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.010
local terms energy: -68.486737
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -20.620
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: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -202.929033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.929033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.929033 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.097
local terms energy: -69.207898
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -18.165
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: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -197.608486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.608486 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.177
local terms energy: -67.233213
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -162.467645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.467645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.467645 (E_RNA)
where:
Base-Base interactions energy: -108.533
where: short stacking energy: -43.526
Base-Backbone interact. energy: -0.153
local terms energy: -53.782096
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -143.899150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.899150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.899150 (E_RNA)
where:
Base-Base interactions energy: -79.316
where: short stacking energy: -33.713
Base-Backbone interact. energy: -1.214
local terms energy: -63.369578
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -84.782621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782621 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -28.676
Base-Backbone interact. energy: 0.265
local terms energy: -53.687053
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -81.145732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145732 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -30.485
Base-Backbone interact. energy: 1.609
local terms energy: -50.014412
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -0.714
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -229.433168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.433168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.433168 (E_RNA)
where:
Base-Base interactions energy: -155.886
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.286
local terms energy: -73.260763
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -227.880960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.880960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.880960 (E_RNA)
where:
Base-Base interactions energy: -153.609
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.455
local terms energy: -73.816732
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -223.711848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.711848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.711848 (E_RNA)
where:
Base-Base interactions energy: -147.156
where: short stacking energy: -62.512
Base-Backbone interact. energy: -0.004
local terms energy: -76.551965
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -202.277324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.277324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.277324 (E_RNA)
where:
Base-Base interactions energy: -137.164
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.000
local terms energy: -65.112646
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -204.375725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.375725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.375725 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.008
local terms energy: -69.976977
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -205.852200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.852200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.852200 (E_RNA)
where:
Base-Base interactions energy: -137.037
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.003
local terms energy: -68.811953
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -139.233930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.233930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.233930 (E_RNA)
where:
Base-Base interactions energy: -82.149
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.784
local terms energy: -56.300336
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -4.792
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -133.295493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.295493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.295493 (E_RNA)
where:
Base-Base interactions energy: -72.616
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.947
local terms energy: -59.733213
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -77.324556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.324556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.324556 (E_RNA)
where:
Base-Base interactions energy: -25.922
where: short stacking energy: -25.922
Base-Backbone interact. energy: -0.049
local terms energy: -51.352905
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -77.839469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.839469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.839469 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -26.178
Base-Backbone interact. energy: 0.449
local terms energy: -49.727512
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -5.511
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: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -243.010165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.010165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.010165 (E_RNA)
where:
Base-Base interactions energy: -158.595
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.290
local terms energy: -84.124451
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -226.482107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.482107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.482107 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -67.765
Base-Backbone interact. energy: -0.293
local terms energy: -75.212214
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -17.492
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -217.677232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677232 (E_RNA)
where:
Base-Base interactions energy: -143.481
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.013
local terms energy: -74.182403
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.412
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: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -211.603624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.603624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.603624 (E_RNA)
where:
Base-Base interactions energy: -139.455
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.383
local terms energy: -71.765829
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -204.513296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.513296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.513296 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.144
local terms energy: -65.317755
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -198.112860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.112860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.112860 (E_RNA)
where:
Base-Base interactions energy: -126.943
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.082
local terms energy: -71.087825
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -8.548
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -150.547846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.547846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.547846 (E_RNA)
where:
Base-Base interactions energy: -91.553
where: short stacking energy: -44.704
Base-Backbone interact. energy: 0.600
local terms energy: -59.594993
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -146.677751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.677751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.677751 (E_RNA)
where:
Base-Base interactions energy: -91.253
where: short stacking energy: -35.250
Base-Backbone interact. energy: -0.098
local terms energy: -55.326809
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -8.794
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: 318
Temperature: 1.300000
Total energy: -88.263504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263504 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.125
local terms energy: -50.550934
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -76.740874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.740874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.740874 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -31.143
Base-Backbone interact. energy: 0.050
local terms energy: -41.675843
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -238.518774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.518774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.518774 (E_RNA)
where:
Base-Base interactions energy: -160.138
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.408
local terms energy: -77.973042
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -215.271691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.271691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.271691 (E_RNA)
where:
Base-Base interactions energy: -136.839
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.012
local terms energy: -78.421637
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -20.124
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: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -219.113821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.113821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.113821 (E_RNA)
where:
Base-Base interactions energy: -138.895
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.319
local terms energy: -79.900044
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -204.506612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.506612 (E_RNA)
where:
Base-Base interactions energy: -138.507
where: short stacking energy: -60.545
Base-Backbone interact. energy: -0.013
local terms energy: -65.986650
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -14.142
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: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -193.161957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.161957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.161957 (E_RNA)
where:
Base-Base interactions energy: -133.595
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.025
local terms energy: -59.541857
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -12.259
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -207.166884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166884 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.204
local terms energy: -64.416439
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -16.841
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: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -146.839746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.839746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.839746 (E_RNA)
where:
Base-Base interactions energy: -89.653
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.040
local terms energy: -57.146580
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -9.659
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -159.547867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.547867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.547867 (E_RNA)
where:
Base-Base interactions energy: -95.267
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.966
local terms energy: -63.314347
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.277
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: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -76.851123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.851123 (E_RNA)
where:
Base-Base interactions energy: -28.455
where: short stacking energy: -18.457
Base-Backbone interact. energy: -0.910
local terms energy: -47.486012
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -7.929
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -1.432
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: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -69.657518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.657518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.657518 (E_RNA)
where:
Base-Base interactions energy: -20.427
where: short stacking energy: -20.427
Base-Backbone interact. energy: -0.076
local terms energy: -49.154768
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -237.868773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.868773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.868773 (E_RNA)
where:
Base-Base interactions energy: -158.396
where: short stacking energy: -71.526
Base-Backbone interact. energy: -0.395
local terms energy: -79.077253
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -19.321
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -215.442134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.442134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.442134 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.398
local terms energy: -71.727880
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -20.502
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: 320
Temperature: 1.000000
Total energy: -215.969890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.969890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.969890 (E_RNA)
where:
Base-Base interactions energy: -144.081
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.107
local terms energy: -71.781535
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -19.576
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -205.147936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.147936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.147936 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.258
local terms energy: -63.056369
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -5.829
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.101
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: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -195.723739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723739 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.400
local terms energy: -63.903531
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -11.197
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -191.953342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.953342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.953342 (E_RNA)
where:
Base-Base interactions energy: -128.063
where: short stacking energy: -60.332
Base-Backbone interact. energy: 0.006
local terms energy: -63.896299
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -14.514
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -148.881526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.881526 (E_RNA)
where:
Base-Base interactions energy: -86.647
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.097
local terms energy: -62.137804
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -10.310
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: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -149.653795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.653795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.653795 (E_RNA)
where:
Base-Base interactions energy: -91.795
where: short stacking energy: -47.165
Base-Backbone interact. energy: -0.128
local terms energy: -57.731182
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -89.046686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.046686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.046686 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.260
local terms energy: -47.661326
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -1.692
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: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -81.718282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.718282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.718282 (E_RNA)
where:
Base-Base interactions energy: -26.325
where: short stacking energy: -19.477
Base-Backbone interact. energy: 0.872
local terms energy: -56.264464
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -236.470382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.470382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.470382 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.134
local terms energy: -75.547715
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -21.912
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: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -226.869216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.869216 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -66.313
Base-Backbone interact. energy: -0.006
local terms energy: -74.581015
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -214.406828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.406828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.406828 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.036
local terms energy: -77.474471
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -16.692
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: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -219.878065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.878065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.878065 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.006
local terms energy: -79.152430
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -196.122771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122771 (E_RNA)
where:
Base-Base interactions energy: -131.168
where: short stacking energy: -54.652
Base-Backbone interact. energy: 1.166
local terms energy: -66.121264
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -202.096251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.096251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.096251 (E_RNA)
where:
Base-Base interactions energy: -136.053
where: short stacking energy: -58.167
Base-Backbone interact. energy: -0.789
local terms energy: -65.254134
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -4.512
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: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -155.153487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.153487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.153487 (E_RNA)
where:
Base-Base interactions energy: -90.124
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.916
local terms energy: -64.114289
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -86.557203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557203 (E_RNA)
where:
Base-Base interactions energy: -43.500
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.257
local terms energy: -42.800425
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: 2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -142.784828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.784828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.784828 (E_RNA)
where:
Base-Base interactions energy: -79.605
where: short stacking energy: -39.252
Base-Backbone interact. energy: -0.137
local terms energy: -63.043117
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -11.777
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: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -78.242259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.242259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.242259 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -27.648
Base-Backbone interact. energy: -0.118
local terms energy: -47.402656
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: 1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -236.371425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.371425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.371425 (E_RNA)
where:
Base-Base interactions energy: -156.839
where: short stacking energy: -68.580
Base-Backbone interact. energy: 0.022
local terms energy: -79.553901
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.684
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: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -227.309168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.309168 (E_RNA)
where:
Base-Base interactions energy: -158.663
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.185
local terms energy: -68.461365
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -230.665197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.665197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.665197 (E_RNA)
where:
Base-Base interactions energy: -160.197
where: short stacking energy: -63.698
Base-Backbone interact. energy: -2.677
local terms energy: -67.790889
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -213.423498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.423498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.423498 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -68.203
Base-Backbone interact. energy: -0.013
local terms energy: -72.076710
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -200.553315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.553315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.553315 (E_RNA)
where:
Base-Base interactions energy: -135.112
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.037
local terms energy: -65.404308
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.697
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: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -201.167067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.167067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.167067 (E_RNA)
where:
Base-Base interactions energy: -135.154
where: short stacking energy: -64.177
Base-Backbone interact. energy: -0.554
local terms energy: -65.459177
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -154.595800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.595800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.595800 (E_RNA)
where:
Base-Base interactions energy: -89.635
where: short stacking energy: -52.654
Base-Backbone interact. energy: -1.296
local terms energy: -63.665275
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -10.728
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: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -124.296908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.296908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.296908 (E_RNA)
where:
Base-Base interactions energy: -72.497
where: short stacking energy: -37.095
Base-Backbone interact. energy: 1.966
local terms energy: -53.765924
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -143.362887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.362887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.362887 (E_RNA)
where:
Base-Base interactions energy: -92.312
where: short stacking energy: -41.509
Base-Backbone interact. energy: 0.219
local terms energy: -51.269978
where:
bonds (distance) C4'-P energy: -7.107
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -83.251967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.251967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.251967 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -31.464
Base-Backbone interact. energy: -1.211
local terms energy: -49.922030
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -236.270765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.270765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.270765 (E_RNA)
where:
Base-Base interactions energy: -158.284
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.028
local terms energy: -77.958872
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -237.035074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.035074 (E_RNA)
where:
Base-Base interactions energy: -158.557
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.013
local terms energy: -78.464806
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.746
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: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -227.427384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.427384 (E_RNA)
where:
Base-Base interactions energy: -152.195
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.007
local terms energy: -75.225574
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -6.239
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: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -209.977808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977808 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.019
local terms energy: -73.199339
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -203.115139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.115139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.115139 (E_RNA)
where:
Base-Base interactions energy: -134.795
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.496
local terms energy: -67.823608
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -201.574673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.574673 (E_RNA)
where:
Base-Base interactions energy: -130.478
where: short stacking energy: -55.759
Base-Backbone interact. energy: -0.018
local terms energy: -71.078549
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -14.862
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -145.756380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.756380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.756380 (E_RNA)
where:
Base-Base interactions energy: -83.541
where: short stacking energy: -35.723
Base-Backbone interact. energy: -0.069
local terms energy: -62.146343
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -159.846613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.846613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.846613 (E_RNA)
where:
Base-Base interactions energy: -106.697
where: short stacking energy: -41.851
Base-Backbone interact. energy: -0.288
local terms energy: -52.861317
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -130.052286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.052286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.052286 (E_RNA)
where:
Base-Base interactions energy: -82.766
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.013
local terms energy: -47.273226
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -77.505428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.505428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.505428 (E_RNA)
where:
Base-Base interactions energy: -23.157
where: short stacking energy: -23.157
Base-Backbone interact. energy: -0.109
local terms energy: -54.239625
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -4.027
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: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -238.609002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.609002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.609002 (E_RNA)
where:
Base-Base interactions energy: -167.370
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.004
local terms energy: -71.234446
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -5.506
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: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -215.666561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.666561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666561 (E_RNA)
where:
Base-Base interactions energy: -142.464
where: short stacking energy: -67.996
Base-Backbone interact. energy: 0.706
local terms energy: -73.908097
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -232.719090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.719090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.719090 (E_RNA)
where:
Base-Base interactions energy: -153.749
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.030
local terms energy: -78.940133
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -19.714
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: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -217.758084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.758084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.758084 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.001
local terms energy: -72.380679
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -214.259852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259852 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.558
local terms energy: -69.886358
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -206.566682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.566682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.566682 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.007
local terms energy: -72.020808
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -18.104
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -189.555898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.555898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.555898 (E_RNA)
where:
Base-Base interactions energy: -128.780
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.006
local terms energy: -60.769309
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -12.242
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: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -145.929759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.929759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.929759 (E_RNA)
where:
Base-Base interactions energy: -85.294
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.208
local terms energy: -60.427836
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -7.323
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: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -79.970901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.970901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.970901 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.153
local terms energy: -43.695780
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: 4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -78.149757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.149757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.149757 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -21.749
Base-Backbone interact. energy: 0.619
local terms energy: -48.636554
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -2.960
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -233.279949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.279949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.279949 (E_RNA)
where:
Base-Base interactions energy: -159.818
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.250
local terms energy: -73.212141
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -12.032
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: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -230.262763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.262763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.262763 (E_RNA)
where:
Base-Base interactions energy: -160.353
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.052
local terms energy: -69.857284
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -216.695853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.695853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.695853 (E_RNA)
where:
Base-Base interactions energy: -145.724
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.832
local terms energy: -70.140022
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -217.016575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.016575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.016575 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.999
local terms energy: -71.632836
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -208.530124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.530124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.530124 (E_RNA)
where:
Base-Base interactions energy: -138.877
where: short stacking energy: -61.682
Base-Backbone interact. energy: 0.483
local terms energy: -70.135870
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -198.233158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.233158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.233158 (E_RNA)
where:
Base-Base interactions energy: -129.331
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.868
local terms energy: -68.034281
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -188.221676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.221676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.221676 (E_RNA)
where:
Base-Base interactions energy: -129.596
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.118
local terms energy: -58.507832
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -138.650304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.650304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.650304 (E_RNA)
where:
Base-Base interactions energy: -82.652
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.708
local terms energy: -55.290893
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -7.638
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -11.010
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: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -87.067022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067022 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.651
local terms energy: -51.890033
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -71.321457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.321457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.321457 (E_RNA)
where:
Base-Base interactions energy: -22.987
where: short stacking energy: -22.609
Base-Backbone interact. energy: -0.406
local terms energy: -47.928384
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -237.328436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.328436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328436 (E_RNA)
where:
Base-Base interactions energy: -159.498
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.536
local terms energy: -77.294242
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -21.851
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: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -217.899179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899179 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -66.461
Base-Backbone interact. energy: -1.593
local terms energy: -76.137481
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -213.222083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.222083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.222083 (E_RNA)
where:
Base-Base interactions energy: -136.188
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.005
local terms energy: -77.029058
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.239
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: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -203.761433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.761433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.761433 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.090
local terms energy: -67.785623
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -12.517
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -212.079870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.079870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.079870 (E_RNA)
where:
Base-Base interactions energy: -144.466
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.139
local terms energy: -67.475181
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -210.720201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.720201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.720201 (E_RNA)
where:
Base-Base interactions energy: -138.825
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.004
local terms energy: -71.890901
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -21.512
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -198.451655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.451655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.451655 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.061
local terms energy: -66.130836
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -144.173692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.173692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.173692 (E_RNA)
where:
Base-Base interactions energy: -95.832
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.055
local terms energy: -48.286069
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.403181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.403181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.403181 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -33.448
Base-Backbone interact. energy: -0.014
local terms energy: -48.940588
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -70.690326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.690326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.690326 (E_RNA)
where:
Base-Base interactions energy: -21.826
where: short stacking energy: -17.619
Base-Backbone interact. energy: -0.341
local terms energy: -48.523498
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: 7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -238.462310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.462310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.462310 (E_RNA)
where:
Base-Base interactions energy: -157.170
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.708
local terms energy: -80.583767
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -18.653
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: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -216.235131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.235131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.235131 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.002
local terms energy: -81.274030
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -229.308584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.308584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.308584 (E_RNA)
where:
Base-Base interactions energy: -154.386
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.002
local terms energy: -74.921109
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -222.307595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.307595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.307595 (E_RNA)
where:
Base-Base interactions energy: -149.038
where: short stacking energy: -69.552
Base-Backbone interact. energy: -0.674
local terms energy: -72.596455
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -164.641850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.641850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.641850 (E_RNA)
where:
Base-Base interactions energy: -106.597
where: short stacking energy: -45.312
Base-Backbone interact. energy: -1.119
local terms energy: -56.925612
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -196.994312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.994312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.994312 (E_RNA)
where:
Base-Base interactions energy: -124.273
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.023
local terms energy: -72.698786
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -207.782922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.782922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.782922 (E_RNA)
where:
Base-Base interactions energy: -137.018
where: short stacking energy: -60.582
Base-Backbone interact. energy: 0.001
local terms energy: -70.765366
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -20.821
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: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -140.185634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.185634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.185634 (E_RNA)
where:
Base-Base interactions energy: -86.161
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.226
local terms energy: -53.799442
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -86.780396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780396 (E_RNA)
where:
Base-Base interactions energy: -41.702
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.347
local terms energy: -44.731110
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -77.754013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.754013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.754013 (E_RNA)
where:
Base-Base interactions energy: -22.112
where: short stacking energy: -19.639
Base-Backbone interact. energy: -0.145
local terms energy: -55.496619
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -220.326761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.326761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.326761 (E_RNA)
where:
Base-Base interactions energy: -139.684
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.002
local terms energy: -80.640532
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -221.954719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.954719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.954719 (E_RNA)
where:
Base-Base interactions energy: -142.133
where: short stacking energy: -66.522
Base-Backbone interact. energy: -1.525
local terms energy: -78.296261
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -223.418633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.418633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.418633 (E_RNA)
where:
Base-Base interactions energy: -152.475
where: short stacking energy: -72.853
Base-Backbone interact. energy: -0.006
local terms energy: -70.937229
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -22.571
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: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -224.103326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.103326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.103326 (E_RNA)
where:
Base-Base interactions energy: -145.107
where: short stacking energy: -67.312
Base-Backbone interact. energy: -1.166
local terms energy: -77.830724
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -197.069803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069803 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.031
local terms energy: -66.408530
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -14.301
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: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -157.492924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.492924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.492924 (E_RNA)
where:
Base-Base interactions energy: -100.575
where: short stacking energy: -49.809
Base-Backbone interact. energy: -0.070
local terms energy: -56.847970
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -189.987342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.987342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.987342 (E_RNA)
where:
Base-Base interactions energy: -125.192
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.026
local terms energy: -64.769381
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -5.803
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: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -146.087181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.087181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.087181 (E_RNA)
where:
Base-Base interactions energy: -90.867
where: short stacking energy: -39.456
Base-Backbone interact. energy: -0.428
local terms energy: -54.792711
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -8.272
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: 328
Temperature: 1.300000
Total energy: -90.219602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219602 (E_RNA)
where:
Base-Base interactions energy: -50.650
where: short stacking energy: -26.454
Base-Backbone interact. energy: -0.500
local terms energy: -39.069303
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: 0.479
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: 328
Temperature: 1.350000
Total energy: -72.875266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.875266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.875266 (E_RNA)
where:
Base-Base interactions energy: -24.303
where: short stacking energy: -20.925
Base-Backbone interact. energy: 0.574
local terms energy: -49.146389
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -230.882733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.882733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.882733 (E_RNA)
where:
Base-Base interactions energy: -155.626
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.090
local terms energy: -75.167396
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -223.736246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736246 (E_RNA)
where:
Base-Base interactions energy: -150.112
where: short stacking energy: -70.395
Base-Backbone interact. energy: -1.590
local terms energy: -72.033973
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -217.255652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.255652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.255652 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -66.307
Base-Backbone interact. energy: 1.137
local terms energy: -77.989356
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -212.514933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514933 (E_RNA)
where:
Base-Base interactions energy: -140.708
where: short stacking energy: -65.986
Base-Backbone interact. energy: -1.409
local terms energy: -70.398837
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -202.532952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.532952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.532952 (E_RNA)
where:
Base-Base interactions energy: -134.362
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.005
local terms energy: -68.166539
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -183.408617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.408617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.408617 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -49.316
Base-Backbone interact. energy: -0.259
local terms energy: -62.497281
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -142.803772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.803772 (E_RNA)
where:
Base-Base interactions energy: -81.788
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.336
local terms energy: -60.679910
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -144.446879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.446879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.446879 (E_RNA)
where:
Base-Base interactions energy: -91.032
where: short stacking energy: -45.345
Base-Backbone interact. energy: -0.645
local terms energy: -52.769584
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -113.434070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.434070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.434070 (E_RNA)
where:
Base-Base interactions energy: -59.932
where: short stacking energy: -24.288
Base-Backbone interact. energy: -0.171
local terms energy: -53.331183
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -80.418065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.418065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.418065 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -22.491
Base-Backbone interact. energy: -0.066
local terms energy: -49.650938
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -223.828542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.828542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.828542 (E_RNA)
where:
Base-Base interactions energy: -146.512
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.034
local terms energy: -77.282859
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -231.317035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.317035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.317035 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.344
local terms energy: -74.082925
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.744
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: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -228.139422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139422 (E_RNA)
where:
Base-Base interactions energy: -151.047
where: short stacking energy: -72.240
Base-Backbone interact. energy: -0.001
local terms energy: -77.091710
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -212.075729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.075729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.075729 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -65.099
Base-Backbone interact. energy: 0.189
local terms energy: -71.374159
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -19.348
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: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -203.719694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.719694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.719694 (E_RNA)
where:
Base-Base interactions energy: -139.569
where: short stacking energy: -54.301
Base-Backbone interact. energy: -0.619
local terms energy: -63.531450
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -15.045
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: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -210.076089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.076089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076089 (E_RNA)
where:
Base-Base interactions energy: -137.250
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.045
local terms energy: -72.781120
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -147.672108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.672108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.672108 (E_RNA)
where:
Base-Base interactions energy: -85.857
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.674
local terms energy: -61.141063
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -10.654
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -135.207646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.207646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.207646 (E_RNA)
where:
Base-Base interactions energy: -82.381
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.333
local terms energy: -52.493610
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -8.078
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: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -80.221759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221759 (E_RNA)
where:
Base-Base interactions energy: -22.498
where: short stacking energy: -22.498
Base-Backbone interact. energy: -0.009
local terms energy: -57.714459
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -71.520743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.520743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.520743 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -31.450
Base-Backbone interact. energy: 1.744
local terms energy: -37.809839
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -4.768
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: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -238.893649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.893649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.893649 (E_RNA)
where:
Base-Base interactions energy: -162.625
where: short stacking energy: -73.537
Base-Backbone interact. energy: -3.479
local terms energy: -72.789865
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -20.822
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -225.737790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.737790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.737790 (E_RNA)
where:
Base-Base interactions energy: -155.064
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.354
local terms energy: -70.319219
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -219.032015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032015 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.063
local terms energy: -66.956233
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -14.392
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: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -210.685591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.685591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.685591 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.895
local terms energy: -72.702384
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -14.825
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: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -214.748096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.748096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.748096 (E_RNA)
where:
Base-Base interactions energy: -147.968
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.834
local terms energy: -65.946211
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -205.271733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.271733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.271733 (E_RNA)
where:
Base-Base interactions energy: -140.591
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.112
local terms energy: -64.568642
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -155.957873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.957873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.957873 (E_RNA)
where:
Base-Base interactions energy: -104.386
where: short stacking energy: -40.741
Base-Backbone interact. energy: -0.593
local terms energy: -50.979625
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -155.141957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.141957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.141957 (E_RNA)
where:
Base-Base interactions energy: -90.525
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.154
local terms energy: -64.462609
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -11.457
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: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.157639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.157639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.157639 (E_RNA)
where:
Base-Base interactions energy: -30.388
where: short stacking energy: -23.547
Base-Backbone interact. energy: 0.012
local terms energy: -47.781656
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: 3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -75.041005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.041005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.041005 (E_RNA)
where:
Base-Base interactions energy: -13.896
where: short stacking energy: -13.896
Base-Backbone interact. energy: -0.219
local terms energy: -60.925982
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -232.303813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.303813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.303813 (E_RNA)
where:
Base-Base interactions energy: -154.237
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.638
local terms energy: -77.428689
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -13.145
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: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -232.049120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.049120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.049120 (E_RNA)
where:
Base-Base interactions energy: -154.271
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.015
local terms energy: -77.763431
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -211.531162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.531162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.531162 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.023
local terms energy: -75.207887
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -212.127231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127231 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.317
local terms energy: -71.120338
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -211.435259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.435259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.435259 (E_RNA)
where:
Base-Base interactions energy: -144.182
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.082
local terms energy: -67.171278
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -201.209088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.209088 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.006
local terms energy: -69.728022
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -17.919
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: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -153.882254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.882254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.882254 (E_RNA)
where:
Base-Base interactions energy: -93.784
where: short stacking energy: -50.093
Base-Backbone interact. energy: -2.728
local terms energy: -57.370196
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -140.770525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.770525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.770525 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -47.099
Base-Backbone interact. energy: -0.642
local terms energy: -43.567681
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -1.590
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -91.875431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.875431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.875431 (E_RNA)
where:
Base-Base interactions energy: -39.190
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.369
local terms energy: -52.317079
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -10.308
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -75.254576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.254576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.254576 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -27.626
Base-Backbone interact. energy: 0.432
local terms energy: -38.581930
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -10.573
flat angles C4'-P-C4' energy: -8.221
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -3.264
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: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -229.247153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.247153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.247153 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -69.161
Base-Backbone interact. energy: -0.017
local terms energy: -82.411678
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.708
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: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -221.048426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048426 (E_RNA)
where:
Base-Base interactions energy: -143.338
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.008
local terms energy: -77.702890
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -207.924603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.924603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.924603 (E_RNA)
where:
Base-Base interactions energy: -129.375
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.809
local terms energy: -77.740667
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.340
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -217.627302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627302 (E_RNA)
where:
Base-Base interactions energy: -144.233
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.620
local terms energy: -72.773895
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -221.649566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.649566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.649566 (E_RNA)
where:
Base-Base interactions energy: -148.082
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.079
local terms energy: -73.488710
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -21.251
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: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -203.177440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.177440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.177440 (E_RNA)
where:
Base-Base interactions energy: -137.676
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.352
local terms energy: -65.149698
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -169.970920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.970920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.970920 (E_RNA)
where:
Base-Base interactions energy: -101.674
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.383
local terms energy: -67.913442
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -143.960424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.960424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.960424 (E_RNA)
where:
Base-Base interactions energy: -81.982
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.112
local terms energy: -61.865625
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -81.420111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.420111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.420111 (E_RNA)
where:
Base-Base interactions energy: -20.540
where: short stacking energy: -19.293
Base-Backbone interact. energy: -0.851
local terms energy: -60.029717
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -83.306047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.306047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.306047 (E_RNA)
where:
Base-Base interactions energy: -27.903
where: short stacking energy: -17.449
Base-Backbone interact. energy: -0.732
local terms energy: -54.671598
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -237.887033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.887033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.887033 (E_RNA)
where:
Base-Base interactions energy: -161.033
where: short stacking energy: -63.536
Base-Backbone interact. energy: -0.749
local terms energy: -76.105336
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -220.188321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.188321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.188321 (E_RNA)
where:
Base-Base interactions energy: -135.624
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.031
local terms energy: -84.533395
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -11.390
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: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -211.966039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966039 (E_RNA)
where:
Base-Base interactions energy: -141.140
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.005
local terms energy: -70.821222
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.672
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: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -212.413255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413255 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.095
local terms energy: -70.154102
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -204.226477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.226477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.226477 (E_RNA)
where:
Base-Base interactions energy: -130.287
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.497
local terms energy: -73.442793
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -200.796852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.796852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796852 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.039
local terms energy: -58.342736
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -16.601
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -146.773108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.773108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.773108 (E_RNA)
where:
Base-Base interactions energy: -85.094
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.257
local terms energy: -61.421436
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -140.932518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.932518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.932518 (E_RNA)
where:
Base-Base interactions energy: -77.576
where: short stacking energy: -38.436
Base-Backbone interact. energy: 0.619
local terms energy: -63.974884
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -8.090
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: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -75.857993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.857993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.857993 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.259
local terms energy: -42.852608
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -1.476
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: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -72.514884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.514884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.514884 (E_RNA)
where:
Base-Base interactions energy: -25.372
where: short stacking energy: -25.372
Base-Backbone interact. energy: -0.264
local terms energy: -46.878236
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -230.669275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.669275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.669275 (E_RNA)
where:
Base-Base interactions energy: -155.578
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.002
local terms energy: -75.088987
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -19.115
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -235.666826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.666826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.666826 (E_RNA)
where:
Base-Base interactions energy: -154.692
where: short stacking energy: -73.088
Base-Backbone interact. energy: -1.425
local terms energy: -79.549686
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -23.934
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -227.159756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.159756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.159756 (E_RNA)
where:
Base-Base interactions energy: -143.586
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.833
local terms energy: -82.740211
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -212.825714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.825714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.825714 (E_RNA)
where:
Base-Base interactions energy: -140.672
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.392
local terms energy: -71.762379
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -19.843
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: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -199.579590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.579590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.579590 (E_RNA)
where:
Base-Base interactions energy: -131.040
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.319
local terms energy: -68.221191
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -208.581283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.581283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.581283 (E_RNA)
where:
Base-Base interactions energy: -146.504
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.047
local terms energy: -62.030180
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -153.370363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.370363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.370363 (E_RNA)
where:
Base-Base interactions energy: -95.376
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.490
local terms energy: -57.503990
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -13.570
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: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -150.110880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.110880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.110880 (E_RNA)
where:
Base-Base interactions energy: -95.388
where: short stacking energy: -46.262
Base-Backbone interact. energy: -0.079
local terms energy: -54.643735
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -86.885720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.885720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.885720 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -32.559
Base-Backbone interact. energy: 1.525
local terms energy: -53.519356
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -2.581
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -70.954875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.954875 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -21.524
Base-Backbone interact. energy: 0.054
local terms energy: -39.842830
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -5.005
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -234.911529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.911529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.911529 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.029
local terms energy: -77.191756
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -232.971369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.971369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.971369 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.085
local terms energy: -66.481803
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -207.928646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.928646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.928646 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -63.142
Base-Backbone interact. energy: -0.314
local terms energy: -72.786673
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -213.451342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.451342 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.138
local terms energy: -70.674457
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -14.784
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: 336
Temperature: 1.100000
Total energy: -207.150083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.150083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.150083 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.069
local terms energy: -73.031167
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -195.552803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.552803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.552803 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -53.521
Base-Backbone interact. energy: -0.106
local terms energy: -73.998867
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.231
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: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -161.283726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.283726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.283726 (E_RNA)
where:
Base-Base interactions energy: -89.692
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.259
local terms energy: -71.332398
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -139.907339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.907339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.907339 (E_RNA)
where:
Base-Base interactions energy: -83.050
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.105
local terms energy: -56.751689
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -69.642798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.642798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.642798 (E_RNA)
where:
Base-Base interactions energy: -22.414
where: short stacking energy: -21.341
Base-Backbone interact. energy: 0.516
local terms energy: -47.745364
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -1.979
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -75.246151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.246151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.246151 (E_RNA)
where:
Base-Base interactions energy: -22.217
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.247
local terms energy: -52.782007
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -230.235062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.235062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.235062 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.207
local terms energy: -77.234099
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.495
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: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -214.878315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.878315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.878315 (E_RNA)
where:
Base-Base interactions energy: -142.466
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.023
local terms energy: -72.390130
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.189
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: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -212.274063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274063 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -57.782
Base-Backbone interact. energy: 2.613
local terms energy: -67.528914
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -209.619094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.619094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.619094 (E_RNA)
where:
Base-Base interactions energy: -144.140
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.005
local terms energy: -65.474553
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -21.007
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -207.541858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.541858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.541858 (E_RNA)
where:
Base-Base interactions energy: -138.433
where: short stacking energy: -65.329
Base-Backbone interact. energy: -1.155
local terms energy: -67.953859
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.157
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -183.103935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.103935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.103935 (E_RNA)
where:
Base-Base interactions energy: -119.190
where: short stacking energy: -47.300
Base-Backbone interact. energy: 1.553
local terms energy: -65.466363
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -153.718018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.718018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.718018 (E_RNA)
where:
Base-Base interactions energy: -91.655
where: short stacking energy: -44.301
Base-Backbone interact. energy: -1.821
local terms energy: -60.241835
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -5.757
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -86.418920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418920 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.181
local terms energy: -46.428475
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: 3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -137.979046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.979046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.979046 (E_RNA)
where:
Base-Base interactions energy: -78.940
where: short stacking energy: -35.843
Base-Backbone interact. energy: 0.174
local terms energy: -59.213142
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -11.155
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: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.923423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.923423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.923423 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.242
local terms energy: -47.539196
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -243.572471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.572471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.572471 (E_RNA)
where:
Base-Base interactions energy: -170.258
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.091
local terms energy: -73.223639
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -18.396
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: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -224.438534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.438534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.438534 (E_RNA)
where:
Base-Base interactions energy: -150.201
where: short stacking energy: -65.832
Base-Backbone interact. energy: -1.425
local terms energy: -72.812358
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -17.753
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: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -235.805400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.805400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.805400 (E_RNA)
where:
Base-Base interactions energy: -161.389
where: short stacking energy: -71.384
Base-Backbone interact. energy: -1.845
local terms energy: -72.571746
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.132
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: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -203.822120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.822120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.822120 (E_RNA)
where:
Base-Base interactions energy: -128.537
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.768
local terms energy: -74.516514
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -215.034733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.034733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.034733 (E_RNA)
where:
Base-Base interactions energy: -147.459
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.047
local terms energy: -67.529066
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -157.423024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.423024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.423024 (E_RNA)
where:
Base-Base interactions energy: -89.434
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.142
local terms energy: -67.846714
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -148.849838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.849838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.849838 (E_RNA)
where:
Base-Base interactions energy: -99.002
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.260
local terms energy: -49.586909
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -91.488759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.488759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.488759 (E_RNA)
where:
Base-Base interactions energy: -48.261
where: short stacking energy: -29.949
Base-Backbone interact. energy: -0.210
local terms energy: -43.017510
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -144.038581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.038581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.038581 (E_RNA)
where:
Base-Base interactions energy: -90.174
where: short stacking energy: -47.569
Base-Backbone interact. energy: -0.440
local terms energy: -53.425121
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -6.863
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -13.861
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: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -84.269601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.269601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.269601 (E_RNA)
where:
Base-Base interactions energy: -26.234
where: short stacking energy: -25.744
Base-Backbone interact. energy: -1.107
local terms energy: -56.928737
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -3.645
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -236.811304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.811304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.811304 (E_RNA)
where:
Base-Base interactions energy: -163.934
where: short stacking energy: -71.871
Base-Backbone interact. energy: -0.076
local terms energy: -72.801463
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -231.899023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.899023 (E_RNA)
where:
Base-Base interactions energy: -156.689
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.130
local terms energy: -75.080259
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -215.257662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.257662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.257662 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.005
local terms energy: -76.381985
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -19.874
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: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -227.179945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179945 (E_RNA)
where:
Base-Base interactions energy: -148.375
where: short stacking energy: -66.594
Base-Backbone interact. energy: -1.607
local terms energy: -77.198739
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -10.846
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: 339
Temperature: 1.100000
Total energy: -200.834160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.834160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.834160 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -64.139
Base-Backbone interact. energy: 2.044
local terms energy: -66.554659
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -17.282
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: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -184.109792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.109792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.109792 (E_RNA)
where:
Base-Base interactions energy: -120.525
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.017
local terms energy: -63.567674
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -151.058459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.058459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.058459 (E_RNA)
where:
Base-Base interactions energy: -87.121
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.840
local terms energy: -63.097604
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -151.154302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.154302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.154302 (E_RNA)
where:
Base-Base interactions energy: -93.004
where: short stacking energy: -34.728
Base-Backbone interact. energy: -1.155
local terms energy: -56.995706
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -4.258
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: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -89.022650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022650 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -34.653
Base-Backbone interact. energy: 0.161
local terms energy: -51.669205
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -128.769557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.769557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.769557 (E_RNA)
where:
Base-Base interactions energy: -73.033
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.977
local terms energy: -54.760003
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -4.235
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: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -238.106986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.106986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.106986 (E_RNA)
where:
Base-Base interactions energy: -161.053
where: short stacking energy: -67.469
Base-Backbone interact. energy: -0.011
local terms energy: -77.043216
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -218.656873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.656873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.656873 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.031
local terms energy: -76.644183
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -222.158784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.158784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.158784 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.412
local terms energy: -70.202423
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -16.547
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -202.451991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.451991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.451991 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.016
local terms energy: -65.827941
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -205.772858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.772858 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.801
local terms energy: -62.227477
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -15.935
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: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -195.312576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312576 (E_RNA)
where:
Base-Base interactions energy: -134.337
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.020
local terms energy: -60.954941
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -149.595869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.595869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.595869 (E_RNA)
where:
Base-Base interactions energy: -95.130
where: short stacking energy: -47.959
Base-Backbone interact. energy: 1.593
local terms energy: -56.058836
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -152.025210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.025210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.025210 (E_RNA)
where:
Base-Base interactions energy: -94.862
where: short stacking energy: -42.781
Base-Backbone interact. energy: -0.078
local terms energy: -57.084519
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -146.180703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.180703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.180703 (E_RNA)
where:
Base-Base interactions energy: -91.998
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.158
local terms energy: -54.024457
where:
bonds (distance) C4'-P energy: -7.606
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -78.943720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.943720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.943720 (E_RNA)
where:
Base-Base interactions energy: -34.351
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.469
local terms energy: -44.123817
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -231.178011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.178011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.178011 (E_RNA)
where:
Base-Base interactions energy: -146.751
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.041
local terms energy: -84.386694
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -224.833434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.833434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.833434 (E_RNA)
where:
Base-Base interactions energy: -152.970
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.400
local terms energy: -71.463486
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -220.615522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615522 (E_RNA)
where:
Base-Base interactions energy: -150.252
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.083
local terms energy: -70.280879
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -209.652374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.652374 (E_RNA)
where:
Base-Base interactions energy: -138.716
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.020
local terms energy: -70.917136
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -170.292099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.292099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.292099 (E_RNA)
where:
Base-Base interactions energy: -110.717
where: short stacking energy: -45.280
Base-Backbone interact. energy: -0.250
local terms energy: -59.324955
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -158.143054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.143054 (E_RNA)
where:
Base-Base interactions energy: -92.164
where: short stacking energy: -46.012
Base-Backbone interact. energy: 0.146
local terms energy: -66.124882
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -196.561212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.561212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.561212 (E_RNA)
where:
Base-Base interactions energy: -136.080
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.076
local terms energy: -60.405278
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -17.142
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: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -174.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.175790 (E_RNA)
where:
Base-Base interactions energy: -124.612
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.059
local terms energy: -49.504627
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -8.177
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -8.542
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: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -132.567987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.567987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.567987 (E_RNA)
where:
Base-Base interactions energy: -77.335
where: short stacking energy: -36.578
Base-Backbone interact. energy: 0.745
local terms energy: -55.978809
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -92.987877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.987877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.987877 (E_RNA)
where:
Base-Base interactions energy: -44.481
where: short stacking energy: -29.488
Base-Backbone interact. energy: -2.273
local terms energy: -46.233613
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -6.762
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -233.083234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083234 (E_RNA)
where:
Base-Base interactions energy: -153.490
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.001
local terms energy: -79.592373
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -228.835797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.835797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.835797 (E_RNA)
where:
Base-Base interactions energy: -153.781
where: short stacking energy: -72.274
Base-Backbone interact. energy: -1.780
local terms energy: -73.274783
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -18.274
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: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -227.295449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.295449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295449 (E_RNA)
where:
Base-Base interactions energy: -157.087
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.160
local terms energy: -70.047670
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -222.155725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155725 (E_RNA)
where:
Base-Base interactions energy: -149.627
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.006
local terms energy: -72.523023
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -17.267
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: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -172.931350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.931350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.931350 (E_RNA)
where:
Base-Base interactions energy: -113.500
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.001
local terms energy: -59.429784
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -157.373965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.373965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.373965 (E_RNA)
where:
Base-Base interactions energy: -92.897
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.141
local terms energy: -64.336382
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -157.455005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.455005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.455005 (E_RNA)
where:
Base-Base interactions energy: -98.489
where: short stacking energy: -47.391
Base-Backbone interact. energy: 0.062
local terms energy: -59.027997
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.544
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: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -162.404450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.404450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.404450 (E_RNA)
where:
Base-Base interactions energy: -103.308
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.105
local terms energy: -58.991306
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -86.810279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.810279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.810279 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.087
local terms energy: -49.649542
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -71.943465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.943465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.943465 (E_RNA)
where:
Base-Base interactions energy: -19.688
where: short stacking energy: -18.209
Base-Backbone interact. energy: -0.570
local terms energy: -51.685698
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.738
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.654454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.654454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.654454 (E_RNA)
where:
Base-Base interactions energy: -152.936
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.007
local terms energy: -75.711270
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -7.587
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: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -221.941152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941152 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.163
local terms energy: -66.558930
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -228.697778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.697778 (E_RNA)
where:
Base-Base interactions energy: -152.609
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.010
local terms energy: -76.078393
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -164.879972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.879972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.879972 (E_RNA)
where:
Base-Base interactions energy: -95.030
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.703
local terms energy: -69.146998
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -222.751507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.751507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.751507 (E_RNA)
where:
Base-Base interactions energy: -150.557
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.068
local terms energy: -72.125890
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -160.450655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.450655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.450655 (E_RNA)
where:
Base-Base interactions energy: -107.792
where: short stacking energy: -44.513
Base-Backbone interact. energy: -1.057
local terms energy: -51.601017
where:
bonds (distance) C4'-P energy: -5.593
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -139.544463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.544463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.544463 (E_RNA)
where:
Base-Base interactions energy: -79.499
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.104
local terms energy: -59.941277
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -171.154100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.154100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.154100 (E_RNA)
where:
Base-Base interactions energy: -115.446
where: short stacking energy: -56.389
Base-Backbone interact. energy: -0.209
local terms energy: -55.498518
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -82.118169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.118169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.118169 (E_RNA)
where:
Base-Base interactions energy: -45.877
where: short stacking energy: -15.259
Base-Backbone interact. energy: 2.116
local terms energy: -38.357333
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -69.791871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.791871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.791871 (E_RNA)
where:
Base-Base interactions energy: -21.121
where: short stacking energy: -20.660
Base-Backbone interact. energy: -0.135
local terms energy: -48.536230
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -233.991682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.991682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991682 (E_RNA)
where:
Base-Base interactions energy: -155.050
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.002
local terms energy: -78.940340
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -225.410944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.410944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.410944 (E_RNA)
where:
Base-Base interactions energy: -150.456
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.056
local terms energy: -74.898210
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -218.486328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.486328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.486328 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.091
local terms energy: -75.733018
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -173.861460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.861460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.861460 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.009
local terms energy: -74.699933
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -212.875896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.875896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.875896 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.143
local terms energy: -66.762744
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -171.617274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.617274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.617274 (E_RNA)
where:
Base-Base interactions energy: -110.352
where: short stacking energy: -45.447
Base-Backbone interact. energy: 3.848
local terms energy: -65.113120
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -6.602
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: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -164.924808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.924808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.924808 (E_RNA)
where:
Base-Base interactions energy: -104.450
where: short stacking energy: -39.373
Base-Backbone interact. energy: -0.954
local terms energy: -59.520593
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -132.145391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.145391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.145391 (E_RNA)
where:
Base-Base interactions energy: -80.441
where: short stacking energy: -35.880
Base-Backbone interact. energy: -0.163
local terms energy: -51.541052
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -89.450696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450696 (E_RNA)
where:
Base-Base interactions energy: -43.926
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.078
local terms energy: -45.446471
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -77.679277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679277 (E_RNA)
where:
Base-Base interactions energy: -30.567
where: short stacking energy: -24.106
Base-Backbone interact. energy: -0.267
local terms energy: -46.845511
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -234.652092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.652092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.652092 (E_RNA)
where:
Base-Base interactions energy: -160.905
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.374
local terms energy: -73.373067
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -232.113977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.113977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.113977 (E_RNA)
where:
Base-Base interactions energy: -150.956
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.312
local terms energy: -80.846117
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -215.728176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.728176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.728176 (E_RNA)
where:
Base-Base interactions energy: -140.069
where: short stacking energy: -57.885
Base-Backbone interact. energy: -1.152
local terms energy: -74.507306
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -209.618321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.618321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.618321 (E_RNA)
where:
Base-Base interactions energy: -139.839
where: short stacking energy: -63.585
Base-Backbone interact. energy: 0.037
local terms energy: -69.816225
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.926
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: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -167.227534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.227534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.227534 (E_RNA)
where:
Base-Base interactions energy: -103.089
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.152
local terms energy: -63.985923
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -139.386923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.386923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.386923 (E_RNA)
where:
Base-Base interactions energy: -82.201
where: short stacking energy: -40.635
Base-Backbone interact. energy: -0.422
local terms energy: -56.763173
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -8.469
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -153.037210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.037210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.037210 (E_RNA)
where:
Base-Base interactions energy: -91.592
where: short stacking energy: -46.476
Base-Backbone interact. energy: -0.233
local terms energy: -61.212350
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -11.254
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: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -155.228920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.228920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.228920 (E_RNA)
where:
Base-Base interactions energy: -97.240
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.522
local terms energy: -57.467774
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -14.236
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: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -82.132548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132548 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -28.261
Base-Backbone interact. energy: 2.060
local terms energy: -45.606082
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -73.688879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.688879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.688879 (E_RNA)
where:
Base-Base interactions energy: -23.598
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.146
local terms energy: -49.944764
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -237.312774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.312774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.312774 (E_RNA)
where:
Base-Base interactions energy: -159.431
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.089
local terms energy: -77.793128
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -22.866
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: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -232.309158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.309158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.309158 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.094
local terms energy: -75.430327
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -4.837
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: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -219.977815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.977815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.977815 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.298
local terms energy: -72.680244
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -225.250683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.250683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.250683 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.067
local terms energy: -73.786897
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -172.760778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.760778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.760778 (E_RNA)
where:
Base-Base interactions energy: -118.971
where: short stacking energy: -48.909
Base-Backbone interact. energy: -0.135
local terms energy: -53.655405
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -149.326320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.326320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.326320 (E_RNA)
where:
Base-Base interactions energy: -86.458
where: short stacking energy: -38.247
Base-Backbone interact. energy: -2.313
local terms energy: -60.555363
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -6.075
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: 346
Temperature: 1.200000
Total energy: -165.695801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.695801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.695801 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -46.115
Base-Backbone interact. energy: -0.104
local terms energy: -49.006377
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -6.169
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: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -138.705263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.705263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.705263 (E_RNA)
where:
Base-Base interactions energy: -82.636
where: short stacking energy: -40.666
Base-Backbone interact. energy: -0.271
local terms energy: -55.798483
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -117.866563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.866563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866563 (E_RNA)
where:
Base-Base interactions energy: -71.296
where: short stacking energy: -43.582
Base-Backbone interact. energy: -0.245
local terms energy: -46.325365
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -7.370
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -10.416
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: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.652221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652221 (E_RNA)
where:
Base-Base interactions energy: -35.842
where: short stacking energy: -24.842
Base-Backbone interact. energy: -0.051
local terms energy: -45.759016
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -6.482
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: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -229.068191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.068191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.068191 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.005
local terms energy: -77.976818
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -213.017233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.017233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017233 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.073
local terms energy: -68.016986
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -217.972346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.972346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.972346 (E_RNA)
where:
Base-Base interactions energy: -152.040
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.136
local terms energy: -65.795799
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -212.247463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.247463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.247463 (E_RNA)
where:
Base-Base interactions energy: -146.021
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.001
local terms energy: -66.225095
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -166.899286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.899286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.899286 (E_RNA)
where:
Base-Base interactions energy: -102.271
where: short stacking energy: -42.483
Base-Backbone interact. energy: -0.167
local terms energy: -64.461519
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -155.580925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.580925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.580925 (E_RNA)
where:
Base-Base interactions energy: -91.598
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.069
local terms energy: -63.913778
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.648
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: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -151.123222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.123222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.123222 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.303
local terms energy: -54.796059
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -139.971944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.971944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.971944 (E_RNA)
where:
Base-Base interactions energy: -79.884
where: short stacking energy: -40.299
Base-Backbone interact. energy: -0.028
local terms energy: -60.060200
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -129.332405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.332405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.332405 (E_RNA)
where:
Base-Base interactions energy: -71.351
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.539
local terms energy: -57.442597
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -82.832810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.832810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.832810 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.062
local terms energy: -51.781551
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -240.845841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.845841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.845841 (E_RNA)
where:
Base-Base interactions energy: -155.670
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.004
local terms energy: -85.171685
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -12.550
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: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -228.705557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.705557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.705557 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.670
local terms energy: -74.915509
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -216.242284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.242284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.242284 (E_RNA)
where:
Base-Base interactions energy: -142.656
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.260
local terms energy: -73.326010
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.234
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: 348
Temperature: 1.050000
Total energy: -212.398825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.398825 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.005
local terms energy: -70.984539
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -173.242528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242528 (E_RNA)
where:
Base-Base interactions energy: -107.924
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.312
local terms energy: -65.006857
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -155.795199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.795199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.795199 (E_RNA)
where:
Base-Base interactions energy: -93.862
where: short stacking energy: -52.188
Base-Backbone interact. energy: -1.729
local terms energy: -60.204086
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -11.000
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: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -138.607816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.607816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.607816 (E_RNA)
where:
Base-Base interactions energy: -86.536
where: short stacking energy: -43.803
Base-Backbone interact. energy: -0.095
local terms energy: -51.977427
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -149.826785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.826785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.826785 (E_RNA)
where:
Base-Base interactions energy: -85.927
where: short stacking energy: -46.826
Base-Backbone interact. energy: -1.024
local terms energy: -62.876074
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -82.549987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549987 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -17.386
Base-Backbone interact. energy: -0.094
local terms energy: -52.267281
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -4.205
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -71.387953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.387953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.387953 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -16.233
Base-Backbone interact. energy: -0.062
local terms energy: -46.419549
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -235.106953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.106953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.106953 (E_RNA)
where:
Base-Base interactions energy: -158.849
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.001
local terms energy: -76.256809
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -232.985544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.985544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.985544 (E_RNA)
where:
Base-Base interactions energy: -153.629
where: short stacking energy: -63.553
Base-Backbone interact. energy: -0.007
local terms energy: -79.349160
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -222.869744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869744 (E_RNA)
where:
Base-Base interactions energy: -149.350
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.124
local terms energy: -73.395503
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -21.737
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: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -171.808302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.808302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.808302 (E_RNA)
where:
Base-Base interactions energy: -109.450
where: short stacking energy: -51.380
Base-Backbone interact. energy: -0.589
local terms energy: -61.769654
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -11.114
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: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -199.288415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288415 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.203
local terms energy: -60.766264
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -182.806510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.806510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.806510 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.397
local terms energy: -64.116367
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -150.117055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.117055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.117055 (E_RNA)
where:
Base-Base interactions energy: -91.207
where: short stacking energy: -44.370
Base-Backbone interact. energy: -0.179
local terms energy: -58.730886
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -8.116
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: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -81.280051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280051 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -15.694
Base-Backbone interact. energy: -0.273
local terms energy: -51.331497
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -136.522774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.522774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.522774 (E_RNA)
where:
Base-Base interactions energy: -88.602
where: short stacking energy: -43.741
Base-Backbone interact. energy: -0.314
local terms energy: -47.606738
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -6.171
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: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -72.198139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.198139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.198139 (E_RNA)
where:
Base-Base interactions energy: -24.089
where: short stacking energy: -17.756
Base-Backbone interact. energy: 0.130
local terms energy: -48.239138
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -2.063
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -239.569184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569184 (E_RNA)
where:
Base-Base interactions energy: -161.759
where: short stacking energy: -76.066
Base-Backbone interact. energy: -1.351
local terms energy: -76.459282
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -24.097
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: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -230.697383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.697383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.697383 (E_RNA)
where:
Base-Base interactions energy: -157.938
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.363
local terms energy: -72.396175
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -209.639322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.639322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.639322 (E_RNA)
where:
Base-Base interactions energy: -140.754
where: short stacking energy: -67.960
Base-Backbone interact. energy: 0.009
local terms energy: -68.894685
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.426
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: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -187.117591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.117591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.117591 (E_RNA)
where:
Base-Base interactions energy: -110.835
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.160
local terms energy: -76.122334
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.953
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: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -206.761116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.761116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.761116 (E_RNA)
where:
Base-Base interactions energy: -140.499
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.478
local terms energy: -65.783913
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -168.357786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.357786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.357786 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.232
local terms energy: -56.979353
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -155.250399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.250399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.250399 (E_RNA)
where:
Base-Base interactions energy: -86.648
where: short stacking energy: -45.168
Base-Backbone interact. energy: -0.686
local terms energy: -67.916817
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -78.284465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.284465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.284465 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.172
local terms energy: -50.470476
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -138.681695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.681695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.681695 (E_RNA)
where:
Base-Base interactions energy: -75.683
where: short stacking energy: -32.649
Base-Backbone interact. energy: -0.817
local terms energy: -62.182294
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -70.282725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.282725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.282725 (E_RNA)
where:
Base-Base interactions energy: -25.460
where: short stacking energy: -20.883
Base-Backbone interact. energy: 0.725
local terms energy: -45.547239
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -4.197
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: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -224.636107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.636107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.636107 (E_RNA)
where:
Base-Base interactions energy: -154.549
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.831
local terms energy: -69.255474
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -228.123356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.123356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123356 (E_RNA)
where:
Base-Base interactions energy: -153.837
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.028
local terms energy: -74.259019
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -19.051
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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -210.934534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.934534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.934534 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.094
local terms energy: -59.787840
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -215.439243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439243 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -66.430
Base-Backbone interact. energy: -1.189
local terms energy: -79.995766
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -17.833
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: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -165.882673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.882673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.882673 (E_RNA)
where:
Base-Base interactions energy: -105.929
where: short stacking energy: -44.128
Base-Backbone interact. energy: 0.297
local terms energy: -60.250904
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -152.494106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.494106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.494106 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.202
local terms energy: -59.076895
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -155.850328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.850328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.850328 (E_RNA)
where:
Base-Base interactions energy: -97.540
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.293
local terms energy: -58.018184
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -12.971
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: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -156.018939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.018939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.018939 (E_RNA)
where:
Base-Base interactions energy: -97.336
where: short stacking energy: -37.891
Base-Backbone interact. energy: 0.710
local terms energy: -59.393149
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -85.424287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.424287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.424287 (E_RNA)
where:
Base-Base interactions energy: -44.569
where: short stacking energy: -19.144
Base-Backbone interact. energy: -0.818
local terms energy: -40.036845
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -69.929376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.929376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.929376 (E_RNA)
where:
Base-Base interactions energy: -18.426
where: short stacking energy: -15.636
Base-Backbone interact. energy: -0.353
local terms energy: -51.149683
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -232.538557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.538557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.538557 (E_RNA)
where:
Base-Base interactions energy: -154.296
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.058
local terms energy: -78.184753
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -233.001223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.001223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.001223 (E_RNA)
where:
Base-Base interactions energy: -158.018
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.138
local terms energy: -74.845220
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -19.639
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: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -239.251663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.251663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.251663 (E_RNA)
where:
Base-Base interactions energy: -156.396
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.001
local terms energy: -82.854599
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -218.354610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.354610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.354610 (E_RNA)
where:
Base-Base interactions energy: -139.644
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.001
local terms energy: -78.710036
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -17.953
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: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -153.864693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.864693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.864693 (E_RNA)
where:
Base-Base interactions energy: -90.110
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.052
local terms energy: -63.702713
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -5.511
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: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -173.781345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.781345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.781345 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.163
local terms energy: -70.773497
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -160.175201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.175201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.175201 (E_RNA)
where:
Base-Base interactions energy: -100.186
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.283
local terms energy: -59.706277
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -11.616
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: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -175.774033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.774033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.774033 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.337
local terms energy: -52.374460
where:
bonds (distance) C4'-P energy: -4.031
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -96.986472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986472 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.395
local terms energy: -50.267510
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -2.475
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: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -85.715262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.715262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.715262 (E_RNA)
where:
Base-Base interactions energy: -27.598
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.070
local terms energy: -58.046526
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -10.249
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: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -230.131097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.131097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.131097 (E_RNA)
where:
Base-Base interactions energy: -156.923
where: short stacking energy: -69.496
Base-Backbone interact. energy: -1.141
local terms energy: -72.067982
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -239.913035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913035 (E_RNA)
where:
Base-Base interactions energy: -163.556
where: short stacking energy: -74.850
Base-Backbone interact. energy: -0.004
local terms energy: -76.353549
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -216.716447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.716447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.716447 (E_RNA)
where:
Base-Base interactions energy: -140.815
where: short stacking energy: -62.284
Base-Backbone interact. energy: 0.192
local terms energy: -76.093265
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -227.448049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.448049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.448049 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.059
local terms energy: -74.269299
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -171.957059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.957059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.957059 (E_RNA)
where:
Base-Base interactions energy: -105.996
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.044
local terms energy: -65.916753
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -17.310
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: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -157.253266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.253266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.253266 (E_RNA)
where:
Base-Base interactions energy: -102.406
where: short stacking energy: -51.896
Base-Backbone interact. energy: 0.108
local terms energy: -54.955721
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -159.325461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.325461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.325461 (E_RNA)
where:
Base-Base interactions energy: -99.988
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.052
local terms energy: -59.285722
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -158.117903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.117903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.117903 (E_RNA)
where:
Base-Base interactions energy: -101.611
where: short stacking energy: -37.272
Base-Backbone interact. energy: -0.121
local terms energy: -56.385404
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -85.676249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.676249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.676249 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -32.080
Base-Backbone interact. energy: 0.259
local terms energy: -47.513052
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: 0.641
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -87.015980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.015980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.015980 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.176
local terms energy: -55.758591
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -232.723833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.723833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.723833 (E_RNA)
where:
Base-Base interactions energy: -160.362
where: short stacking energy: -62.958
Base-Backbone interact. energy: 0.444
local terms energy: -72.805798
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -227.188905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.188905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188905 (E_RNA)
where:
Base-Base interactions energy: -147.725
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.216
local terms energy: -79.247639
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -21.813
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: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -206.129361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.129361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.129361 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.322
local terms energy: -71.349828
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -215.710358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.710358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.710358 (E_RNA)
where:
Base-Base interactions energy: -138.604
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.012
local terms energy: -77.093770
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -13.521
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: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -199.742424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.742424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.742424 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.080
local terms energy: -67.452934
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -169.996678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.996678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.996678 (E_RNA)
where:
Base-Base interactions energy: -103.585
where: short stacking energy: -45.691
Base-Backbone interact. energy: 0.256
local terms energy: -66.666962
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -141.998177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.998177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.998177 (E_RNA)
where:
Base-Base interactions energy: -76.259
where: short stacking energy: -41.642
Base-Backbone interact. energy: 1.189
local terms energy: -66.928216
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -145.940069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.940069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.940069 (E_RNA)
where:
Base-Base interactions energy: -87.753
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.173
local terms energy: -58.014369
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -78.127087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.127087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.127087 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.152
local terms energy: -43.562582
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -7.121
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -72.529368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.529368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.529368 (E_RNA)
where:
Base-Base interactions energy: -25.450
where: short stacking energy: -25.219
Base-Backbone interact. energy: -0.682
local terms energy: -46.397218
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -235.974780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.974780 (E_RNA)
where:
Base-Base interactions energy: -159.769
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.253
local terms energy: -75.952395
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -230.890025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.890025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.890025 (E_RNA)
where:
Base-Base interactions energy: -154.144
where: short stacking energy: -62.349
Base-Backbone interact. energy: -0.002
local terms energy: -76.744439
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -23.090
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: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -215.246374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.246374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.246374 (E_RNA)
where:
Base-Base interactions energy: -137.022
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.164
local terms energy: -78.059609
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -216.721327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.721327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.721327 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.116
local terms energy: -76.816601
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -17.674
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -202.818116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.818116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.818116 (E_RNA)
where:
Base-Base interactions energy: -135.735
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.346
local terms energy: -66.736564
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -19.212
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: 355
Temperature: 1.150000
Total energy: -147.939267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.939267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.939267 (E_RNA)
where:
Base-Base interactions energy: -90.166
where: short stacking energy: -40.347
Base-Backbone interact. energy: 2.922
local terms energy: -60.695783
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -5.238
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: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -136.292907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.292907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.292907 (E_RNA)
where:
Base-Base interactions energy: -79.755
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.452
local terms energy: -56.086209
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -140.342072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.342072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.342072 (E_RNA)
where:
Base-Base interactions energy: -80.560
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.019
local terms energy: -59.762987
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -10.281
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: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -83.254337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.254337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.254337 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -36.589
Base-Backbone interact. energy: -0.052
local terms energy: -41.428136
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -85.518315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518315 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -30.337
Base-Backbone interact. energy: -1.524
local terms energy: -45.059400
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -6.604
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: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -225.006863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.006863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.006863 (E_RNA)
where:
Base-Base interactions energy: -149.143
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.107
local terms energy: -75.756860
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -19.300
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: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -218.635837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.635837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.635837 (E_RNA)
where:
Base-Base interactions energy: -145.204
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.193
local terms energy: -73.238623
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -227.939389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.939389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.939389 (E_RNA)
where:
Base-Base interactions energy: -152.490
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.150
local terms energy: -75.299219
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.887
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -210.861167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861167 (E_RNA)
where:
Base-Base interactions energy: -144.104
where: short stacking energy: -67.563
Base-Backbone interact. energy: -0.011
local terms energy: -66.746140
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -21.518
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: 356
Temperature: 1.100000
Total energy: -202.748903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.748903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.748903 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -57.337
Base-Backbone interact. energy: 2.150
local terms energy: -72.377848
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -153.723245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.723245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.723245 (E_RNA)
where:
Base-Base interactions energy: -98.594
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.237
local terms energy: -54.891457
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -142.581932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.581932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.581932 (E_RNA)
where:
Base-Base interactions energy: -88.377
where: short stacking energy: -40.488
Base-Backbone interact. energy: -1.688
local terms energy: -52.516687
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -137.212931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.212931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.212931 (E_RNA)
where:
Base-Base interactions energy: -82.397
where: short stacking energy: -38.422
Base-Backbone interact. energy: -1.290
local terms energy: -53.525003
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -80.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318612 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -33.883
Base-Backbone interact. energy: -0.004
local terms energy: -46.431987
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.040
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: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -75.071403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.071403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.071403 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.147
local terms energy: -41.415942
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -229.889935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.889935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.889935 (E_RNA)
where:
Base-Base interactions energy: -152.105
where: short stacking energy: -69.374
Base-Backbone interact. energy: -0.071
local terms energy: -77.714267
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -238.371071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.371071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.371071 (E_RNA)
where:
Base-Base interactions energy: -160.352
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.025
local terms energy: -77.993953
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -21.389
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -215.967862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.967862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.967862 (E_RNA)
where:
Base-Base interactions energy: -140.141
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.019
local terms energy: -75.807360
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -10.803
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: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -214.545593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.545593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.545593 (E_RNA)
where:
Base-Base interactions energy: -141.027
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.032
local terms energy: -73.487332
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.782
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: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -211.334726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.334726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.334726 (E_RNA)
where:
Base-Base interactions energy: -142.508
where: short stacking energy: -51.822
Base-Backbone interact. energy: -0.152
local terms energy: -68.674579
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -148.516385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.516385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.516385 (E_RNA)
where:
Base-Base interactions energy: -85.006
where: short stacking energy: -39.207
Base-Backbone interact. energy: -2.987
local terms energy: -60.523544
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -154.074999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.074999 (E_RNA)
where:
Base-Base interactions energy: -87.046
where: short stacking energy: -45.229
Base-Backbone interact. energy: -1.332
local terms energy: -65.696908
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -149.670772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.670772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.670772 (E_RNA)
where:
Base-Base interactions energy: -92.486
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.109
local terms energy: -57.076600
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -71.462130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.462130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.462130 (E_RNA)
where:
Base-Base interactions energy: -26.814
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.173
local terms energy: -44.475023
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -1.104
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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -83.212635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.212635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.212635 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -21.420
Base-Backbone interact. energy: -0.223
local terms energy: -48.618383
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -239.569475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569475 (E_RNA)
where:
Base-Base interactions energy: -157.399
where: short stacking energy: -72.410
Base-Backbone interact. energy: 0.273
local terms energy: -82.442627
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -221.748066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.748066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.748066 (E_RNA)
where:
Base-Base interactions energy: -140.018
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.869
local terms energy: -80.860665
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -227.020583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020583 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.000
local terms energy: -74.784404
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -207.028135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.028135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.028135 (E_RNA)
where:
Base-Base interactions energy: -133.791
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.029
local terms energy: -73.207649
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -18.222
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -210.758380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.758380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.758380 (E_RNA)
where:
Base-Base interactions energy: -143.128
where: short stacking energy: -72.512
Base-Backbone interact. energy: -0.008
local terms energy: -67.622044
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -161.328044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.328044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.328044 (E_RNA)
where:
Base-Base interactions energy: -97.290
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.004
local terms energy: -64.033342
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -14.272
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: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -147.043424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.043424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.043424 (E_RNA)
where:
Base-Base interactions energy: -87.329
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.071
local terms energy: -59.643460
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -9.116
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -149.414513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.414513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.414513 (E_RNA)
where:
Base-Base interactions energy: -91.897
where: short stacking energy: -51.681
Base-Backbone interact. energy: -0.007
local terms energy: -57.510466
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -87.968015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968015 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -20.754
Base-Backbone interact. energy: -0.268
local terms energy: -49.170230
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -69.264118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.264118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.264118 (E_RNA)
where:
Base-Base interactions energy: -23.572
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.126
local terms energy: -45.566239
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -235.819305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.819305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.819305 (E_RNA)
where:
Base-Base interactions energy: -156.631
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.816
local terms energy: -78.372903
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -13.131
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -229.616458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.616458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.616458 (E_RNA)
where:
Base-Base interactions energy: -153.839
where: short stacking energy: -77.901
Base-Backbone interact. energy: -0.039
local terms energy: -75.738525
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.772
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: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -209.441153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.441153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.441153 (E_RNA)
where:
Base-Base interactions energy: -129.749
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.500
local terms energy: -79.192189
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -216.056659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056659 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -68.664
Base-Backbone interact. energy: 1.650
local terms energy: -71.375353
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -208.189881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.189881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.189881 (E_RNA)
where:
Base-Base interactions energy: -134.696
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.028
local terms energy: -73.465059
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -19.404
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: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -148.142862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.142862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.142862 (E_RNA)
where:
Base-Base interactions energy: -89.846
where: short stacking energy: -45.215
Base-Backbone interact. energy: -0.203
local terms energy: -58.094580
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -145.250384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.250384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.250384 (E_RNA)
where:
Base-Base interactions energy: -81.698
where: short stacking energy: -41.183
Base-Backbone interact. energy: 0.311
local terms energy: -63.862723
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -8.741
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -148.232361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.232361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.232361 (E_RNA)
where:
Base-Base interactions energy: -90.241
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.047
local terms energy: -57.944392
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -79.505845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.505845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.505845 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -21.853
Base-Backbone interact. energy: -0.146
local terms energy: -48.526301
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -71.828926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.828926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.828926 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.150
local terms energy: -44.594825
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -218.660216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.660216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.660216 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.002
local terms energy: -73.435446
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -223.555361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.555361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.555361 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.354
local terms energy: -79.919202
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -20.412
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -216.147880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.147880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.147880 (E_RNA)
where:
Base-Base interactions energy: -142.715
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.065
local terms energy: -73.367426
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -211.427445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.427445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.427445 (E_RNA)
where:
Base-Base interactions energy: -154.308
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.013
local terms energy: -57.106288
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -8.493
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -17.464
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: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -188.408643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408643 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.038
local terms energy: -63.206844
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -10.097
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: 360
Temperature: 1.150000
Total energy: -198.948294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.948294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.948294 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -62.781
Base-Backbone interact. energy: -1.261
local terms energy: -65.022733
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -5.134
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: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -149.393552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.393552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.393552 (E_RNA)
where:
Base-Base interactions energy: -89.343
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.340
local terms energy: -59.710981
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -9.894
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -144.653919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.653919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.653919 (E_RNA)
where:
Base-Base interactions energy: -90.519
where: short stacking energy: -40.676
Base-Backbone interact. energy: -0.351
local terms energy: -53.784242
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -11.674
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: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -86.604382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.604382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.604382 (E_RNA)
where:
Base-Base interactions energy: -25.659
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.120
local terms energy: -60.824906
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -5.119
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: 360
Temperature: 1.350000
Total energy: -78.787397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.787397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.787397 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.009
local terms energy: -44.594609
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -4.023
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: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -219.172515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.172515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172515 (E_RNA)
where:
Base-Base interactions energy: -137.594
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.400
local terms energy: -81.178300
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -224.175778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175778 (E_RNA)
where:
Base-Base interactions energy: -153.618
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.001
local terms energy: -70.557224
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -215.699016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699016 (E_RNA)
where:
Base-Base interactions energy: -130.396
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.001
local terms energy: -85.301748
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -193.219827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.219827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.219827 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.648
local terms energy: -65.767188
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -207.507656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507656 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.028
local terms energy: -67.213486
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -21.270
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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -198.309978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.309978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.309978 (E_RNA)
where:
Base-Base interactions energy: -126.228
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.162
local terms energy: -71.920392
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -144.439893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.439893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.439893 (E_RNA)
where:
Base-Base interactions energy: -89.909
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.074
local terms energy: -54.457264
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -148.121781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.121781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.121781 (E_RNA)
where:
Base-Base interactions energy: -87.856
where: short stacking energy: -44.281
Base-Backbone interact. energy: -0.380
local terms energy: -59.885955
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.150694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150694 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.064
local terms energy: -47.629931
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -84.057566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057566 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.792
local terms energy: -51.084428
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -0.810
tors. eta vs tors. theta energy: -7.553
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: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -236.384338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.384338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.384338 (E_RNA)
where:
Base-Base interactions energy: -154.335
where: short stacking energy: -72.858
Base-Backbone interact. energy: -0.003
local terms energy: -82.046942
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -219.462515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.462515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.462515 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.757
local terms energy: -70.155006
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -226.059134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.059134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.059134 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.072
local terms energy: -76.306048
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -184.066012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.066012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.066012 (E_RNA)
where:
Base-Base interactions energy: -113.514
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.841
local terms energy: -69.710890
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -213.153303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.153303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.153303 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.012
local terms energy: -78.433776
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -190.766786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.766786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.766786 (E_RNA)
where:
Base-Base interactions energy: -123.969
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.055
local terms energy: -66.742724
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -14.163
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: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -144.433328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.433328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.433328 (E_RNA)
where:
Base-Base interactions energy: -83.638
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.538
local terms energy: -60.257561
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -152.121374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.121374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.121374 (E_RNA)
where:
Base-Base interactions energy: -94.193
where: short stacking energy: -42.689
Base-Backbone interact. energy: 1.179
local terms energy: -59.106968
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -13.169
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: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -83.334592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.334592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.334592 (E_RNA)
where:
Base-Base interactions energy: -31.243
where: short stacking energy: -31.126
Base-Backbone interact. energy: -0.155
local terms energy: -51.936122
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -7.641
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: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -88.692997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.692997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.692997 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.311
local terms energy: -62.614889
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -10.175
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -242.051063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.051063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.051063 (E_RNA)
where:
Base-Base interactions energy: -164.084
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.055
local terms energy: -77.911648
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -227.447127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.447127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.447127 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.010
local terms energy: -74.847789
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -217.757540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.757540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.757540 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -61.550
Base-Backbone interact. energy: 0.385
local terms energy: -71.272894
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -19.237
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: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -204.703077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.703077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.703077 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -48.796
Base-Backbone interact. energy: -0.006
local terms energy: -67.503874
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -179.021668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.021668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021668 (E_RNA)
where:
Base-Base interactions energy: -112.982
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.859
local terms energy: -65.180923
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -194.392087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.392087 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -52.020
Base-Backbone interact. energy: -0.080
local terms energy: -63.154909
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.635
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: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -153.869203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.869203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.869203 (E_RNA)
where:
Base-Base interactions energy: -93.670
where: short stacking energy: -51.797
Base-Backbone interact. energy: -0.009
local terms energy: -60.189953
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.350
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: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -150.596675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.596675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.596675 (E_RNA)
where:
Base-Base interactions energy: -87.647
where: short stacking energy: -45.280
Base-Backbone interact. energy: -0.192
local terms energy: -62.757538
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -89.147351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147351 (E_RNA)
where:
Base-Base interactions energy: -32.826
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.178
local terms energy: -56.143921
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -84.673171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.673171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.673171 (E_RNA)
where:
Base-Base interactions energy: -27.926
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.157
local terms energy: -56.590772
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -222.154423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.154423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154423 (E_RNA)
where:
Base-Base interactions energy: -147.637
where: short stacking energy: -62.588
Base-Backbone interact. energy: 0.324
local terms energy: -74.841986
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -219.282324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.282324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.282324 (E_RNA)
where:
Base-Base interactions energy: -143.252
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.509
local terms energy: -75.521231
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.737
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: 364
Temperature: 1.000000
Total energy: -225.259850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259850 (E_RNA)
where:
Base-Base interactions energy: -146.658
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.007
local terms energy: -78.594609
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -222.497397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.497397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.497397 (E_RNA)
where:
Base-Base interactions energy: -155.685
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.387
local terms energy: -66.425171
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -19.528
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: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -215.999531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.999531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.999531 (E_RNA)
where:
Base-Base interactions energy: -145.524
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.005
local terms energy: -70.469852
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.639
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: 364
Temperature: 1.150000
Total energy: -164.976887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.976887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.976887 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -48.276
Base-Backbone interact. energy: -0.042
local terms energy: -56.290502
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -2.647
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: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -177.033899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.033899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.033899 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.059
local terms energy: -60.910478
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -9.051
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -141.227990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.227990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.227990 (E_RNA)
where:
Base-Base interactions energy: -90.594
where: short stacking energy: -41.990
Base-Backbone interact. energy: -0.468
local terms energy: -50.166366
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -79.159147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.159147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.159147 (E_RNA)
where:
Base-Base interactions energy: -30.834
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.071
local terms energy: -48.253941
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -1.930
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: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -106.970331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.970331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.970331 (E_RNA)
where:
Base-Base interactions energy: -51.114
where: short stacking energy: -35.223
Base-Backbone interact. energy: -1.086
local terms energy: -54.770217
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -7.610
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: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -235.585009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.585009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.585009 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.034
local terms energy: -81.312056
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -12.821
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: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -235.442648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.442648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.442648 (E_RNA)
where:
Base-Base interactions energy: -155.578
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.076
local terms energy: -79.788564
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -22.555
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: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -204.494806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.494806 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.462
local terms energy: -67.106244
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -11.574
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: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -227.055978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.055978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.055978 (E_RNA)
where:
Base-Base interactions energy: -148.433
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.002
local terms energy: -78.620992
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -207.166926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166926 (E_RNA)
where:
Base-Base interactions energy: -137.646
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.001
local terms energy: -69.519624
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -15.862
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: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -179.244986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.244986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.244986 (E_RNA)
where:
Base-Base interactions energy: -114.395
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.697
local terms energy: -64.152554
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -7.641
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -143.226360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.226360 (E_RNA)
where:
Base-Base interactions energy: -82.614
where: short stacking energy: -43.520
Base-Backbone interact. energy: -0.937
local terms energy: -59.675667
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -90.039294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.039294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.039294 (E_RNA)
where:
Base-Base interactions energy: -40.248
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.847
local terms energy: -48.944097
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -148.717367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.717367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.717367 (E_RNA)
where:
Base-Base interactions energy: -88.842
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.378
local terms energy: -59.497079
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -75.835159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.835159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.835159 (E_RNA)
where:
Base-Base interactions energy: -41.299
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.669
local terms energy: -33.867194
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -4.617
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -234.223010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.223010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.223010 (E_RNA)
where:
Base-Base interactions energy: -152.939
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.010
local terms energy: -81.273928
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -21.965
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: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -239.013719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.013719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.013719 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.008
local terms energy: -80.107315
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -21.888
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -215.147252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147252 (E_RNA)
where:
Base-Base interactions energy: -146.620
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.011
local terms energy: -68.516738
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -218.578939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.578939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.578939 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -67.196
Base-Backbone interact. energy: 0.498
local terms energy: -75.102611
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -215.709880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.709880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.709880 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.031
local terms energy: -73.744670
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -17.415
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: 366
Temperature: 1.150000
Total energy: -195.406398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.406398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.406398 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.092
local terms energy: -56.903133
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -86.674099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.674099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.674099 (E_RNA)
where:
Base-Base interactions energy: -35.127
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.201
local terms energy: -51.346878
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -142.399242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.399242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.399242 (E_RNA)
where:
Base-Base interactions energy: -80.423
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.159
local terms energy: -61.817348
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -8.453
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: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -140.817854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.817854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.817854 (E_RNA)
where:
Base-Base interactions energy: -86.534
where: short stacking energy: -43.348
Base-Backbone interact. energy: -0.366
local terms energy: -53.918033
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -78.630647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.630647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.630647 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -22.943
Base-Backbone interact. energy: -0.215
local terms energy: -53.420457
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -7.380
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: 367
Temperature: 0.900000
Total energy: -234.320107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.320107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.320107 (E_RNA)
where:
Base-Base interactions energy: -156.483
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.040
local terms energy: -77.796879
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.634
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -231.242350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.242350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242350 (E_RNA)
where:
Base-Base interactions energy: -155.350
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.621
local terms energy: -75.271709
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -217.867497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.867497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.867497 (E_RNA)
where:
Base-Base interactions energy: -139.046
where: short stacking energy: -68.034
Base-Backbone interact. energy: 0.476
local terms energy: -79.297067
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.415
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: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -221.944676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.944676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.944676 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.021
local terms energy: -78.906810
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -22.054
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: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -212.607573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.607573 (E_RNA)
where:
Base-Base interactions energy: -144.320
where: short stacking energy: -67.461
Base-Backbone interact. energy: -0.007
local terms energy: -68.280659
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -18.097
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: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -190.693294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.693294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.693294 (E_RNA)
where:
Base-Base interactions energy: -131.999
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.008
local terms energy: -58.685889
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -83.360873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360873 (E_RNA)
where:
Base-Base interactions energy: -25.447
where: short stacking energy: -23.897
Base-Backbone interact. energy: 0.325
local terms energy: -58.239528
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -149.838631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.838631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.838631 (E_RNA)
where:
Base-Base interactions energy: -97.087
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.445
local terms energy: -52.306842
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -136.964103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.964103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.964103 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -37.940
Base-Backbone interact. energy: -0.329
local terms energy: -46.349520
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -73.395790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.395790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.395790 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -22.860
Base-Backbone interact. energy: 1.500
local terms energy: -41.456891
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -236.594481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.594481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.594481 (E_RNA)
where:
Base-Base interactions energy: -158.452
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.085
local terms energy: -78.057545
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -20.145
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: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -215.372689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.372689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.372689 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.918
local terms energy: -73.618241
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -218.777492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.777492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.777492 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.062
local terms energy: -73.900437
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -13.399
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -214.955255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.955255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.955255 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.035
local terms energy: -67.765674
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -214.968823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.968823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.968823 (E_RNA)
where:
Base-Base interactions energy: -149.966
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.174
local terms energy: -64.828441
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -19.319
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: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -199.527234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527234 (E_RNA)
where:
Base-Base interactions energy: -127.545
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.014
local terms energy: -71.968400
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -17.750
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: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -157.653935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653935 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -51.996
Base-Backbone interact. energy: -1.325
local terms energy: -57.358226
where:
bonds (distance) C4'-P energy: -6.621
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -86.250735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250735 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -30.599
Base-Backbone interact. energy: -0.093
local terms energy: -51.883771
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -138.087513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.087513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.087513 (E_RNA)
where:
Base-Base interactions energy: -86.304
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.319
local terms energy: -51.464868
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -9.457
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: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -81.682750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682750 (E_RNA)
where:
Base-Base interactions energy: -26.155
where: short stacking energy: -18.520
Base-Backbone interact. energy: -0.123
local terms energy: -55.405189
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -5.822
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: 369
Temperature: 0.900000
Total energy: -222.287683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.287683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.287683 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.005
local terms energy: -69.758907
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -18.758
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: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -219.497906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.497906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.497906 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -65.930
Base-Backbone interact. energy: -1.066
local terms energy: -75.028615
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -230.975253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.975253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.975253 (E_RNA)
where:
Base-Base interactions energy: -148.339
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.006
local terms energy: -82.630209
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -202.114177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.114177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.114177 (E_RNA)
where:
Base-Base interactions energy: -135.356
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.049
local terms energy: -66.709245
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -14.111
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: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -207.209724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.209724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.209724 (E_RNA)
where:
Base-Base interactions energy: -143.984
where: short stacking energy: -58.203
Base-Backbone interact. energy: 0.895
local terms energy: -64.119905
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -13.092
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -163.455502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.455502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.455502 (E_RNA)
where:
Base-Base interactions energy: -99.708
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.052
local terms energy: -63.695985
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -11.553
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -185.341188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.341188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.341188 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -56.091
Base-Backbone interact. energy: 2.019
local terms energy: -58.657483
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -6.042
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: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -135.695374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.695374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.695374 (E_RNA)
where:
Base-Base interactions energy: -83.816
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.700
local terms energy: -51.178866
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -142.153214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.153214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.153214 (E_RNA)
where:
Base-Base interactions energy: -96.053
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.360
local terms energy: -45.739639
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -74.401485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.401485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.401485 (E_RNA)
where:
Base-Base interactions energy: -28.264
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.150
local terms energy: -45.986869
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -235.065193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.065193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.065193 (E_RNA)
where:
Base-Base interactions energy: -151.873
where: short stacking energy: -62.512
Base-Backbone interact. energy: -2.180
local terms energy: -81.012180
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -18.828
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -228.585152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.585152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.585152 (E_RNA)
where:
Base-Base interactions energy: -151.470
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.003
local terms energy: -77.112323
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -220.390045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.390045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.390045 (E_RNA)
where:
Base-Base interactions energy: -146.858
where: short stacking energy: -62.621
Base-Backbone interact. energy: -0.375
local terms energy: -73.156788
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -209.938394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.938394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.938394 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.095
local terms energy: -68.964212
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -205.694387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.694387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.694387 (E_RNA)
where:
Base-Base interactions energy: -132.395
where: short stacking energy: -62.248
Base-Backbone interact. energy: -0.010
local terms energy: -73.288898
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -17.334
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: 370
Temperature: 1.150000
Total energy: -157.477801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.477801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.477801 (E_RNA)
where:
Base-Base interactions energy: -96.508
where: short stacking energy: -44.316
Base-Backbone interact. energy: -0.177
local terms energy: -60.793285
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -10.280
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: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -196.158068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.158068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.158068 (E_RNA)
where:
Base-Base interactions energy: -131.369
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.108
local terms energy: -64.680317
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -143.745027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.745027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.745027 (E_RNA)
where:
Base-Base interactions energy: -84.184
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.266
local terms energy: -59.294614
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -136.230803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.230803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.230803 (E_RNA)
where:
Base-Base interactions energy: -89.898
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.499
local terms energy: -45.833580
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -8.161
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -82.793377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.793377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.793377 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -29.446
Base-Backbone interact. energy: 3.018
local terms energy: -42.535913
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -234.738668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.738668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.738668 (E_RNA)
where:
Base-Base interactions energy: -156.519
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.345
local terms energy: -77.874448
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -18.085
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: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -217.913145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913145 (E_RNA)
where:
Base-Base interactions energy: -152.081
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.042
local terms energy: -65.789934
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -20.939
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -210.223555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223555 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.053
local terms energy: -66.446677
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -13.231
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: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -212.537877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537877 (E_RNA)
where:
Base-Base interactions energy: -142.991
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.041
local terms energy: -69.505978
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -1.007
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: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -189.931288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.931288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.931288 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.025
local terms energy: -60.071570
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -207.475012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.475012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.475012 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -52.367
Base-Backbone interact. energy: 0.574
local terms energy: -69.712796
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -155.761967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.761967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.761967 (E_RNA)
where:
Base-Base interactions energy: -95.130
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.110
local terms energy: -60.521417
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -9.569
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: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -152.320176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.320176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.320176 (E_RNA)
where:
Base-Base interactions energy: -99.667
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.211
local terms energy: -52.441420
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -80.142506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.142506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.142506 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -25.825
Base-Backbone interact. energy: 1.976
local terms energy: -51.251304
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -95.927556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.927556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.927556 (E_RNA)
where:
Base-Base interactions energy: -45.406
where: short stacking energy: -33.978
Base-Backbone interact. energy: -0.365
local terms energy: -50.155856
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -240.390100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.390100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.390100 (E_RNA)
where:
Base-Base interactions energy: -160.725
where: short stacking energy: -66.002
Base-Backbone interact. energy: -0.246
local terms energy: -79.419212
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -19.550
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -216.186442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.186442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.186442 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -65.897
Base-Backbone interact. energy: 1.601
local terms energy: -71.309312
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -12.096
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -213.323400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.323400 (E_RNA)
where:
Base-Base interactions energy: -139.674
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.690
local terms energy: -72.958927
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -215.214242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.214242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.214242 (E_RNA)
where:
Base-Base interactions energy: -139.249
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.001
local terms energy: -75.964165
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -205.709188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.709188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.709188 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.222
local terms energy: -64.739098
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -18.805
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: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -202.117315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.117315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.117315 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.040
local terms energy: -71.020111
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -14.878
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: 372
Temperature: 1.200000
Total energy: -142.367894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.367894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.367894 (E_RNA)
where:
Base-Base interactions energy: -85.286
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.236
local terms energy: -56.845315
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -135.650960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.650960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.650960 (E_RNA)
where:
Base-Base interactions energy: -75.676
where: short stacking energy: -39.376
Base-Backbone interact. energy: -0.063
local terms energy: -59.912198
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -10.580
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: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -67.666822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.666822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.666822 (E_RNA)
where:
Base-Base interactions energy: -19.755
where: short stacking energy: -19.755
Base-Backbone interact. energy: -0.261
local terms energy: -47.650864
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -89.383822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.383822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.383822 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.116
local terms energy: -58.634613
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -235.810902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.810902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.810902 (E_RNA)
where:
Base-Base interactions energy: -152.175
where: short stacking energy: -68.512
Base-Backbone interact. energy: -1.894
local terms energy: -81.742446
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.760
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: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -216.150540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.150540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.150540 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.002
local terms energy: -75.296210
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -220.807638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.807638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.807638 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -65.658
Base-Backbone interact. energy: -0.006
local terms energy: -84.265561
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -18.562
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: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -213.826558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.826558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.826558 (E_RNA)
where:
Base-Base interactions energy: -142.127
where: short stacking energy: -68.268
Base-Backbone interact. energy: -0.037
local terms energy: -71.662095
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -202.690942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.690942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.690942 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.056
local terms energy: -64.516790
where:
bonds (distance) C4'-P energy: -5.763
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -204.409287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409287 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -57.659
Base-Backbone interact. energy: -0.250
local terms energy: -75.054904
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.039
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: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -138.921923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.921923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.921923 (E_RNA)
where:
Base-Base interactions energy: -81.480
where: short stacking energy: -31.838
Base-Backbone interact. energy: -1.623
local terms energy: -55.818242
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -4.804
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: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -153.978134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.978134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.978134 (E_RNA)
where:
Base-Base interactions energy: -88.452
where: short stacking energy: -43.029
Base-Backbone interact. energy: -0.204
local terms energy: -65.321943
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -11.292
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: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -82.769890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.769890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.769890 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -24.934
Base-Backbone interact. energy: -0.025
local terms energy: -50.367851
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -72.780611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.780611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.780611 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.073
local terms energy: -49.621438
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -4.957
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -239.295048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.295048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.295048 (E_RNA)
where:
Base-Base interactions energy: -156.224
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.572
local terms energy: -82.499047
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -22.720
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: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -229.098966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.098966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.098966 (E_RNA)
where:
Base-Base interactions energy: -154.781
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.464
local terms energy: -73.853767
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -214.789173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.789173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.789173 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -62.455
Base-Backbone interact. energy: 1.002
local terms energy: -76.751169
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -218.052238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.052238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.052238 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.760
local terms energy: -78.448435
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -207.653487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.653487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.653487 (E_RNA)
where:
Base-Base interactions energy: -143.669
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.800
local terms energy: -63.184439
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -193.619553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.619553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.619553 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.110
local terms energy: -58.901465
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -13.984
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -146.477132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.477132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.477132 (E_RNA)
where:
Base-Base interactions energy: -82.890
where: short stacking energy: -41.396
Base-Backbone interact. energy: -0.068
local terms energy: -63.518398
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -154.141359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.141359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.141359 (E_RNA)
where:
Base-Base interactions energy: -93.672
where: short stacking energy: -44.349
Base-Backbone interact. energy: -1.639
local terms energy: -58.830510
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -12.747
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: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -80.335805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.335805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.335805 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -21.164
Base-Backbone interact. energy: -1.251
local terms energy: -49.052554
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -83.514190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514190 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.089
local terms energy: -51.089078
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -245.140869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.140869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.140869 (E_RNA)
where:
Base-Base interactions energy: -165.063
where: short stacking energy: -70.620
Base-Backbone interact. energy: -0.342
local terms energy: -79.735713
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -22.856
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: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -230.016602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.016602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.016602 (E_RNA)
where:
Base-Base interactions energy: -159.618
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.031
local terms energy: -70.367453
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -212.777242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.777242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.777242 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -66.401
Base-Backbone interact. energy: -0.153
local terms energy: -73.830937
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -214.565236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.565236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565236 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.879
local terms energy: -71.139765
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -199.953462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953462 (E_RNA)
where:
Base-Base interactions energy: -134.834
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.110
local terms energy: -65.009244
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -196.309696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.309696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.309696 (E_RNA)
where:
Base-Base interactions energy: -129.539
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.013
local terms energy: -66.757782
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -17.090
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: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -197.303955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.303955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.303955 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.068
local terms energy: -70.041996
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -143.126265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.126265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.126265 (E_RNA)
where:
Base-Base interactions energy: -89.200
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.051
local terms energy: -53.875389
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -83.618334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.618334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.618334 (E_RNA)
where:
Base-Base interactions energy: -28.748
where: short stacking energy: -28.748
Base-Backbone interact. energy: -0.043
local terms energy: -54.826842
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -80.000622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000622 (E_RNA)
where:
Base-Base interactions energy: -34.752
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.007
local terms energy: -45.242284
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -232.450863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.450863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.450863 (E_RNA)
where:
Base-Base interactions energy: -154.522
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.072
local terms energy: -77.857752
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -224.682226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.682226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.682226 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.104
local terms energy: -80.354023
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -20.879
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -208.525088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.525088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525088 (E_RNA)
where:
Base-Base interactions energy: -143.994
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.282
local terms energy: -64.248668
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -6.822
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: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -205.513002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.513002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.513002 (E_RNA)
where:
Base-Base interactions energy: -141.617
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.359
local terms energy: -63.536968
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -11.895
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -203.638537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.638537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.638537 (E_RNA)
where:
Base-Base interactions energy: -140.305
where: short stacking energy: -62.979
Base-Backbone interact. energy: -0.026
local terms energy: -63.307643
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -16.769
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -189.559716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.559716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.559716 (E_RNA)
where:
Base-Base interactions energy: -125.316
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.082
local terms energy: -64.160847
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -154.175224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.175224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.175224 (E_RNA)
where:
Base-Base interactions energy: -92.381
where: short stacking energy: -54.786
Base-Backbone interact. energy: -0.162
local terms energy: -61.632118
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -11.159
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -193.284007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.284007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.284007 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -53.815
Base-Backbone interact. energy: -1.084
local terms energy: -63.882310
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -15.036
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -75.313637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.313637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.313637 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -27.559
Base-Backbone interact. energy: 0.934
local terms energy: -48.688705
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -69.163175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.163175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.163175 (E_RNA)
where:
Base-Base interactions energy: -22.537
where: short stacking energy: -18.629
Base-Backbone interact. energy: -0.302
local terms energy: -46.323886
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -237.894390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.894390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.894390 (E_RNA)
where:
Base-Base interactions energy: -158.353
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.213
local terms energy: -79.328280
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -20.705
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -222.063088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063088 (E_RNA)
where:
Base-Base interactions energy: -143.134
where: short stacking energy: -65.856
Base-Backbone interact. energy: 0.030
local terms energy: -78.959040
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -219.756334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.756334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.756334 (E_RNA)
where:
Base-Base interactions energy: -139.455
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.088
local terms energy: -80.213603
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -20.248
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: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -213.958011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.958011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.958011 (E_RNA)
where:
Base-Base interactions energy: -144.991
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.002
local terms energy: -68.965859
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -5.198
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: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -204.670424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.670424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.670424 (E_RNA)
where:
Base-Base interactions energy: -137.707
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.591
local terms energy: -66.371990
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -204.349170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.349170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.349170 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.160
local terms energy: -77.378599
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -12.698
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -154.639219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.639219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.639219 (E_RNA)
where:
Base-Base interactions energy: -94.031
where: short stacking energy: -50.194
Base-Backbone interact. energy: -0.182
local terms energy: -60.426944
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -192.615127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.615127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.615127 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -48.896
Base-Backbone interact. energy: -0.436
local terms energy: -59.283928
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -77.076401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.076401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.076401 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -23.554
Base-Backbone interact. energy: -0.337
local terms energy: -42.150524
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -69.151690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.151690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.151690 (E_RNA)
where:
Base-Base interactions energy: -20.074
where: short stacking energy: -20.074
Base-Backbone interact. energy: 0.347
local terms energy: -49.424147
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -242.775817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.775817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.775817 (E_RNA)
where:
Base-Base interactions energy: -159.551
where: short stacking energy: -72.344
Base-Backbone interact. energy: -2.205
local terms energy: -81.019392
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -21.495
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: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -217.914504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.914504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.914504 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.024
local terms energy: -66.575513
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -211.222624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.222624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.222624 (E_RNA)
where:
Base-Base interactions energy: -134.038
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.049
local terms energy: -77.135283
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -221.974890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.974890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974890 (E_RNA)
where:
Base-Base interactions energy: -154.282
where: short stacking energy: -59.501
Base-Backbone interact. energy: -1.275
local terms energy: -66.418311
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -210.004280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.004280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.004280 (E_RNA)
where:
Base-Base interactions energy: -147.136
where: short stacking energy: -59.161
Base-Backbone interact. energy: -0.187
local terms energy: -62.680735
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.420
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: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -215.423010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.423010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.423010 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.048
local terms energy: -73.082114
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.845
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: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -199.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.999186 (E_RNA)
where:
Base-Base interactions energy: -125.775
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.026
local terms energy: -74.198031
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -149.276566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.276566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.276566 (E_RNA)
where:
Base-Base interactions energy: -88.932
where: short stacking energy: -35.986
Base-Backbone interact. energy: -0.033
local terms energy: -60.311859
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -88.623233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623233 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.127
local terms energy: -50.260138
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.325
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: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -73.196923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196923 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -31.535
Base-Backbone interact. energy: 1.879
local terms energy: -43.541189
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -234.978398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.978398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.978398 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -66.424
Base-Backbone interact. energy: -0.010
local terms energy: -74.561231
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -214.624060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.624060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.624060 (E_RNA)
where:
Base-Base interactions energy: -148.166
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.114
local terms energy: -66.344084
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -225.411580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.411580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.411580 (E_RNA)
where:
Base-Base interactions energy: -157.648
where: short stacking energy: -72.285
Base-Backbone interact. energy: 0.322
local terms energy: -68.085257
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -212.703060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.703060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.703060 (E_RNA)
where:
Base-Base interactions energy: -138.352
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.280
local terms energy: -74.071498
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -202.736347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.736347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.736347 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.007
local terms energy: -69.588428
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -194.757849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.757849 (E_RNA)
where:
Base-Base interactions energy: -129.083
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.058
local terms energy: -65.617108
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -11.871
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -205.150497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.150497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.150497 (E_RNA)
where:
Base-Base interactions energy: -139.054
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.131
local terms energy: -65.965796
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -134.770747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.770747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.770747 (E_RNA)
where:
Base-Base interactions energy: -86.865
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.226
local terms energy: -47.679027
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -76.491998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.491998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.491998 (E_RNA)
where:
Base-Base interactions energy: -26.821
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.159
local terms energy: -49.512857
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -75.905324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905324 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -26.589
Base-Backbone interact. energy: -1.103
local terms energy: -46.454693
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: 0.270
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -229.379626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.379626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.379626 (E_RNA)
where:
Base-Base interactions energy: -154.108
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.001
local terms energy: -75.269946
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -217.060312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.060312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060312 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -65.769
Base-Backbone interact. energy: -2.887
local terms energy: -70.885726
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -213.092961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.092961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.092961 (E_RNA)
where:
Base-Base interactions energy: -140.174
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.036
local terms energy: -72.883158
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.495
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: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -204.322086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.322086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.322086 (E_RNA)
where:
Base-Base interactions energy: -134.560
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.002
local terms energy: -69.759660
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -17.966
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: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -214.529148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.529148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.529148 (E_RNA)
where:
Base-Base interactions energy: -146.696
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.003
local terms energy: -67.829928
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -194.419486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.419486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.419486 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -57.945
Base-Backbone interact. energy: -0.433
local terms energy: -68.705456
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -16.380
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: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -148.940243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.940243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.940243 (E_RNA)
where:
Base-Base interactions energy: -94.081
where: short stacking energy: -43.014
Base-Backbone interact. energy: -0.129
local terms energy: -54.730165
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -188.623284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623284 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.191
local terms energy: -61.555360
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -88.729143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729143 (E_RNA)
where:
Base-Base interactions energy: -41.512
where: short stacking energy: -34.300
Base-Backbone interact. energy: -0.251
local terms energy: -46.966106
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.548481 (E_RNA)
where:
Base-Base interactions energy: -24.889
where: short stacking energy: -16.056
Base-Backbone interact. energy: 0.829
local terms energy: -53.488230
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -4.840
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: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -244.725933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.725933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.725933 (E_RNA)
where:
Base-Base interactions energy: -173.024
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.008
local terms energy: -71.693023
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -20.725
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -223.998147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.998147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.998147 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -70.754
Base-Backbone interact. energy: -0.003
local terms energy: -69.006153
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -221.553494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.553494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553494 (E_RNA)
where:
Base-Base interactions energy: -150.013
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.086
local terms energy: -71.454187
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.168
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -211.395762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.395762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395762 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.088
local terms energy: -71.519249
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -208.120890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120890 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.078
local terms energy: -73.200823
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -191.213766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.213766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.213766 (E_RNA)
where:
Base-Base interactions energy: -127.798
where: short stacking energy: -51.634
Base-Backbone interact. energy: -0.057
local terms energy: -63.358067
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -159.732877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.732877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.732877 (E_RNA)
where:
Base-Base interactions energy: -101.007
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.195
local terms energy: -58.530817
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -184.774329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.774329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.774329 (E_RNA)
where:
Base-Base interactions energy: -119.901
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.012
local terms energy: -64.861593
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -77.937217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.937217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.937217 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -20.839
Base-Backbone interact. energy: -0.218
local terms energy: -44.802904
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -78.531578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.531578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.531578 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.071
local terms energy: -47.531595
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -5.721
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: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -231.343439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.343439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.343439 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.689
local terms energy: -79.748435
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -229.073930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.073930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.073930 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -73.997
Base-Backbone interact. energy: -1.138
local terms energy: -77.151879
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -219.382177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.382177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.382177 (E_RNA)
where:
Base-Base interactions energy: -150.650
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.043
local terms energy: -68.689334
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -222.562991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.562991 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.027
local terms energy: -79.721758
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.253
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -205.285677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.285677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.285677 (E_RNA)
where:
Base-Base interactions energy: -138.738
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.052
local terms energy: -66.496001
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -11.281
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: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -197.030044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.030044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.030044 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.712
local terms energy: -68.250382
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -205.996521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.996521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.996521 (E_RNA)
where:
Base-Base interactions energy: -140.476
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.136
local terms energy: -65.385182
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -7.961
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -146.783658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.783658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.783658 (E_RNA)
where:
Base-Base interactions energy: -82.164
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.542
local terms energy: -64.078179
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -9.635
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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -82.137558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137558 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -25.007
Base-Backbone interact. energy: 1.246
local terms energy: -44.292830
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -86.076834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.076834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.076834 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.085
local terms energy: -51.427070
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -9.588
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: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -232.916757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.916757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916757 (E_RNA)
where:
Base-Base interactions energy: -152.354
where: short stacking energy: -64.172
Base-Backbone interact. energy: -0.128
local terms energy: -80.435517
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -18.790
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -236.572573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.572573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.572573 (E_RNA)
where:
Base-Base interactions energy: -159.713
where: short stacking energy: -72.818
Base-Backbone interact. energy: 0.778
local terms energy: -77.637420
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -23.044
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: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -224.490832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.490832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.490832 (E_RNA)
where:
Base-Base interactions energy: -149.766
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.063
local terms energy: -74.662172
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -209.954353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.954353 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.228
local terms energy: -69.809981
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -18.105
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: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -204.527255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.527255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.527255 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.088
local terms energy: -69.819786
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -16.575
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -192.402641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.402641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.402641 (E_RNA)
where:
Base-Base interactions energy: -131.758
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.213
local terms energy: -60.432052
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -203.357316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357316 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -56.368
Base-Backbone interact. energy: -1.070
local terms energy: -61.836575
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -14.974
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: 383
Temperature: 1.250000
Total energy: -160.678260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.678260 (E_RNA)
where:
Base-Base interactions energy: -92.154
where: short stacking energy: -42.532
Base-Backbone interact. energy: -0.012
local terms energy: -68.512590
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -108.365021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.365021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.365021 (E_RNA)
where:
Base-Base interactions energy: -67.928
where: short stacking energy: -33.197
Base-Backbone interact. energy: -1.217
local terms energy: -39.220629
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -7.465
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -4.738
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: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -80.101347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.101347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.101347 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.317
local terms energy: -52.054247
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -235.279620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.279620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.279620 (E_RNA)
where:
Base-Base interactions energy: -151.434
where: short stacking energy: -67.619
Base-Backbone interact. energy: -2.273
local terms energy: -81.572133
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -22.951
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -224.936907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.936907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.936907 (E_RNA)
where:
Base-Base interactions energy: -151.335
where: short stacking energy: -65.878
Base-Backbone interact. energy: 0.669
local terms energy: -74.270152
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -10.475
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: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -217.711114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.711114 (E_RNA)
where:
Base-Base interactions energy: -144.796
where: short stacking energy: -65.467
Base-Backbone interact. energy: -0.002
local terms energy: -72.913609
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -8.586
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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -207.657993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657993 (E_RNA)
where:
Base-Base interactions energy: -137.422
where: short stacking energy: -67.679
Base-Backbone interact. energy: -0.192
local terms energy: -70.044234
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -213.607728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.607728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.607728 (E_RNA)
where:
Base-Base interactions energy: -144.672
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.010
local terms energy: -68.925957
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.050
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: 384
Temperature: 1.150000
Total energy: -212.047698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.047698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.047698 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.877
local terms energy: -65.332594
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -7.486
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -198.786323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.786323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.786323 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.018
local terms energy: -62.721901
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -14.605
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: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -142.152584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.152584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.152584 (E_RNA)
where:
Base-Base interactions energy: -83.205
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.128
local terms energy: -58.820216
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -121.281721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.281721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.281721 (E_RNA)
where:
Base-Base interactions energy: -74.530
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.089
local terms energy: -46.662263
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -8.800
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: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -79.314971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.314971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.314971 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.249
local terms energy: -49.571580
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -235.618957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.618957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.618957 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.287
local terms energy: -80.636063
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -221.460446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.460446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.460446 (E_RNA)
where:
Base-Base interactions energy: -145.689
where: short stacking energy: -70.889
Base-Backbone interact. energy: -0.032
local terms energy: -75.739600
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -20.757
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -210.367790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.367790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.367790 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -59.147
Base-Backbone interact. energy: 0.424
local terms energy: -72.785154
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -208.985956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.985956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.985956 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.051
local terms energy: -75.135720
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -12.368
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: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -215.396989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.396989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.396989 (E_RNA)
where:
Base-Base interactions energy: -148.858
where: short stacking energy: -68.258
Base-Backbone interact. energy: -0.048
local terms energy: -66.491773
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -15.753
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: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -202.788104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.788104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.788104 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.101
local terms energy: -69.935018
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -213.180706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.180706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.180706 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.804
local terms energy: -70.973215
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -152.241668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.241668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.241668 (E_RNA)
where:
Base-Base interactions energy: -91.726
where: short stacking energy: -49.825
Base-Backbone interact. energy: -0.060
local terms energy: -60.456355
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -9.007
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: 385
Temperature: 1.300000
Total energy: -113.298123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.298123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.298123 (E_RNA)
where:
Base-Base interactions energy: -63.135
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.079
local terms energy: -50.083867
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.831427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831427 (E_RNA)
where:
Base-Base interactions energy: -31.334
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.154
local terms energy: -48.342963
where:
bonds (distance) C4'-P energy: -7.803
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -244.134220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.134220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.134220 (E_RNA)
where:
Base-Base interactions energy: -165.389
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.090
local terms energy: -78.655923
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -20.990
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -226.117348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.117348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.117348 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.072
local terms energy: -69.594274
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -220.277273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.277273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.277273 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.005
local terms energy: -75.254151
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.971
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -206.617918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617918 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.004
local terms energy: -74.719893
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -203.430720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.430720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.430720 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.108
local terms energy: -63.984946
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -15.797
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: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -207.444873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.444873 (E_RNA)
where:
Base-Base interactions energy: -134.872
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.009
local terms energy: -72.564204
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -191.147390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.147390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147390 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -53.365
Base-Backbone interact. energy: -1.802
local terms energy: -65.210240
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -149.935360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935360 (E_RNA)
where:
Base-Base interactions energy: -95.431
where: short stacking energy: -31.561
Base-Backbone interact. energy: -0.122
local terms energy: -54.382110
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -8.740
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: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -84.559308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.559308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.559308 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.630
local terms energy: -51.485702
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -75.673547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.673547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.673547 (E_RNA)
where:
Base-Base interactions energy: -28.315
where: short stacking energy: -20.761
Base-Backbone interact. energy: 1.328
local terms energy: -48.686124
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -232.022404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022404 (E_RNA)
where:
Base-Base interactions energy: -158.713
where: short stacking energy: -73.237
Base-Backbone interact. energy: 0.035
local terms energy: -73.344523
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -227.035229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.035229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035229 (E_RNA)
where:
Base-Base interactions energy: -149.986
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.003
local terms energy: -77.046402
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.333
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -219.462729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.462729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.462729 (E_RNA)
where:
Base-Base interactions energy: -148.500
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.003
local terms energy: -70.960435
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -20.725
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -215.067592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.067592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.067592 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -64.166
Base-Backbone interact. energy: -0.264
local terms energy: -73.966499
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.920
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: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -206.937845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.937845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.937845 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.271
local terms energy: -62.912464
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -194.176771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.176771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.176771 (E_RNA)
where:
Base-Base interactions energy: -129.259
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.168
local terms energy: -64.750570
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.236
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: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -198.812148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.812148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.812148 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.101
local terms energy: -69.639115
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -147.051557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.051557 (E_RNA)
where:
Base-Base interactions energy: -91.062
where: short stacking energy: -44.481
Base-Backbone interact. energy: -0.109
local terms energy: -55.881407
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -85.158560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158560 (E_RNA)
where:
Base-Base interactions energy: -26.355
where: short stacking energy: -20.035
Base-Backbone interact. energy: -0.300
local terms energy: -58.503746
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -77.511060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.511060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.511060 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -29.435
Base-Backbone interact. energy: 0.389
local terms energy: -42.220095
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -3.018
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: 388
Temperature: 0.900000
Total energy: -242.079991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.079991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.079991 (E_RNA)
where:
Base-Base interactions energy: -159.364
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.284
local terms energy: -82.431499
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -217.630489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.630489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.630489 (E_RNA)
where:
Base-Base interactions energy: -146.996
where: short stacking energy: -71.100
Base-Backbone interact. energy: 0.430
local terms energy: -71.064926
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -17.924
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: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -224.975499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.975499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.975499 (E_RNA)
where:
Base-Base interactions energy: -155.035
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.290
local terms energy: -69.649753
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -210.232194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.232194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.232194 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -66.068
Base-Backbone interact. energy: -0.072
local terms energy: -73.686543
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.432
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: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -214.498299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.498299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.498299 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.009
local terms energy: -67.545310
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -208.566579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566579 (E_RNA)
where:
Base-Base interactions energy: -138.996
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.003
local terms energy: -69.568111
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -144.434754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.434754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.434754 (E_RNA)
where:
Base-Base interactions energy: -86.778
where: short stacking energy: -51.051
Base-Backbone interact. energy: -0.007
local terms energy: -57.649706
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -145.709995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.709995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.709995 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -46.450
Base-Backbone interact. energy: -0.791
local terms energy: -51.717797
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -72.155492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.155492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.155492 (E_RNA)
where:
Base-Base interactions energy: -25.443
where: short stacking energy: -15.422
Base-Backbone interact. energy: 1.044
local terms energy: -47.756723
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: 1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -72.303163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.303163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.303163 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -24.302
Base-Backbone interact. energy: -0.923
local terms energy: -43.931547
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -224.803540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.803540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.803540 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.780
local terms energy: -76.036393
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.818
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -227.986357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.986357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.986357 (E_RNA)
where:
Base-Base interactions energy: -153.515
where: short stacking energy: -67.449
Base-Backbone interact. energy: 0.171
local terms energy: -74.642529
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -17.829
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: 389
Temperature: 1.000000
Total energy: -218.671797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.671797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.671797 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.012
local terms energy: -66.894760
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -10.224
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: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -209.605566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.605566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.605566 (E_RNA)
where:
Base-Base interactions energy: -129.563
where: short stacking energy: -67.082
Base-Backbone interact. energy: -1.585
local terms energy: -78.457898
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -215.930347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.930347 (E_RNA)
where:
Base-Base interactions energy: -142.912
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.001
local terms energy: -73.018072
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -179.592514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.592514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.592514 (E_RNA)
where:
Base-Base interactions energy: -123.472
where: short stacking energy: -53.795
Base-Backbone interact. energy: -0.111
local terms energy: -56.010134
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -191.768457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.768457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.768457 (E_RNA)
where:
Base-Base interactions energy: -121.855
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.002
local terms energy: -69.911376
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -16.285
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: 389
Temperature: 1.250000
Total energy: -133.567566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.567566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.567566 (E_RNA)
where:
Base-Base interactions energy: -79.177
where: short stacking energy: -35.057
Base-Backbone interact. energy: 1.259
local terms energy: -55.648672
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -8.286
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: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -76.721807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.721807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.721807 (E_RNA)
where:
Base-Base interactions energy: -21.919
where: short stacking energy: -21.919
Base-Backbone interact. energy: -0.016
local terms energy: -54.786529
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -84.516949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.516949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.516949 (E_RNA)
where:
Base-Base interactions energy: -37.508
where: short stacking energy: -19.329
Base-Backbone interact. energy: 0.654
local terms energy: -47.662966
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -242.188346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.188346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.188346 (E_RNA)
where:
Base-Base interactions energy: -165.475
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.000
local terms energy: -76.712749
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.222
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: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -229.048559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.048559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.048559 (E_RNA)
where:
Base-Base interactions energy: -155.123
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.030
local terms energy: -73.895582
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -21.327
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: 390
Temperature: 1.000000
Total energy: -219.680901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.680901 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.092
local terms energy: -78.252581
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -11.534
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: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -212.091012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.091012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.091012 (E_RNA)
where:
Base-Base interactions energy: -139.440
where: short stacking energy: -65.151
Base-Backbone interact. energy: -2.532
local terms energy: -70.118745
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -15.411
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: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -212.355566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355566 (E_RNA)
where:
Base-Base interactions energy: -139.160
where: short stacking energy: -66.550
Base-Backbone interact. energy: -0.000
local terms energy: -73.195276
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -195.293346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.293346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.293346 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -51.559
Base-Backbone interact. energy: -0.533
local terms energy: -67.306070
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -14.018
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: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -197.147743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.147743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147743 (E_RNA)
where:
Base-Base interactions energy: -127.187
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.386
local terms energy: -69.574688
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -136.175201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.175201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.175201 (E_RNA)
where:
Base-Base interactions energy: -80.348
where: short stacking energy: -38.986
Base-Backbone interact. energy: -0.615
local terms energy: -55.211945
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.988
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: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -73.757894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.757894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.757894 (E_RNA)
where:
Base-Base interactions energy: -19.436
where: short stacking energy: -19.436
Base-Backbone interact. energy: -0.361
local terms energy: -53.960740
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -68.156022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.156022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.156022 (E_RNA)
where:
Base-Base interactions energy: -23.921
where: short stacking energy: -23.921
Base-Backbone interact. energy: -0.206
local terms energy: -44.028180
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -237.963612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.963612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.963612 (E_RNA)
where:
Base-Base interactions energy: -160.703
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.355
local terms energy: -76.905430
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -18.147
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: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -218.691839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691839 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.004
local terms energy: -76.685242
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -209.658628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658628 (E_RNA)
where:
Base-Base interactions energy: -135.649
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.099
local terms energy: -73.910309
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -213.745400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.745400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.745400 (E_RNA)
where:
Base-Base interactions energy: -147.979
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.244
local terms energy: -65.522621
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -203.066529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.066529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.066529 (E_RNA)
where:
Base-Base interactions energy: -134.561
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.081
local terms energy: -68.424535
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -17.850
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: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -215.804791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.804791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.804791 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.173
local terms energy: -76.953449
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -151.756381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.756381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.756381 (E_RNA)
where:
Base-Base interactions energy: -91.158
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.007
local terms energy: -60.591263
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -13.272
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: 391
Temperature: 1.250000
Total energy: -84.588279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588279 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -18.879
Base-Backbone interact. energy: -0.292
local terms energy: -49.258334
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -0.689
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: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -131.779948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.779948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.779948 (E_RNA)
where:
Base-Base interactions energy: -79.782
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.072
local terms energy: -51.925225
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -96.818913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.818913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.818913 (E_RNA)
where:
Base-Base interactions energy: -38.265
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.986
local terms energy: -57.568438
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -242.233968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.233968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233968 (E_RNA)
where:
Base-Base interactions energy: -157.643
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.077
local terms energy: -84.513865
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -13.029
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -230.524919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.524919 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.007
local terms energy: -79.120800
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -21.054
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: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -215.245558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.245558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.245558 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.690
local terms energy: -68.850955
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -211.590646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.590646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590646 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.323
local terms energy: -70.403558
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -215.680911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.680911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680911 (E_RNA)
where:
Base-Base interactions energy: -151.723
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.123
local terms energy: -63.835004
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -5.488
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: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -200.412870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.412870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.412870 (E_RNA)
where:
Base-Base interactions energy: -130.569
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.004
local terms energy: -69.839275
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -149.932561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.932561 (E_RNA)
where:
Base-Base interactions energy: -84.576
where: short stacking energy: -47.513
Base-Backbone interact. energy: -0.284
local terms energy: -65.073040
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -92.507206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.507206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.507206 (E_RNA)
where:
Base-Base interactions energy: -52.728
where: short stacking energy: -13.651
Base-Backbone interact. energy: -0.190
local terms energy: -39.589016
where:
bonds (distance) C4'-P energy: -6.980
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: 1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -79.049786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.049786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.049786 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.034
local terms energy: -41.098903
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: 1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -72.800216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.800216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.800216 (E_RNA)
where:
Base-Base interactions energy: -25.958
where: short stacking energy: -15.475
Base-Backbone interact. energy: -0.468
local terms energy: -46.374314
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -239.890495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.890495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.890495 (E_RNA)
where:
Base-Base interactions energy: -161.197
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.002
local terms energy: -78.691320
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -229.989653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.989653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.989653 (E_RNA)
where:
Base-Base interactions energy: -155.649
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.029
local terms energy: -74.311176
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -211.594279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.594279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.594279 (E_RNA)
where:
Base-Base interactions energy: -140.216
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.073
local terms energy: -71.305601
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -217.185123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185123 (E_RNA)
where:
Base-Base interactions energy: -149.369
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.877
local terms energy: -66.939281
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -213.294648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.294648 (E_RNA)
where:
Base-Base interactions energy: -138.763
where: short stacking energy: -58.279
Base-Backbone interact. energy: -0.172
local terms energy: -74.359675
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -21.790
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -199.996508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.996508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.996508 (E_RNA)
where:
Base-Base interactions energy: -128.304
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.406
local terms energy: -71.286528
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -18.109
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: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -156.550737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.550737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.550737 (E_RNA)
where:
Base-Base interactions energy: -101.353
where: short stacking energy: -42.793
Base-Backbone interact. energy: -0.689
local terms energy: -54.509447
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -11.665
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -138.625076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.625076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.625076 (E_RNA)
where:
Base-Base interactions energy: -82.358
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.104
local terms energy: -56.163237
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -80.965057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965057 (E_RNA)
where:
Base-Base interactions energy: -23.871
where: short stacking energy: -23.628
Base-Backbone interact. energy: 0.671
local terms energy: -57.765661
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -2.588
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: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -92.854341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854341 (E_RNA)
where:
Base-Base interactions energy: -46.869
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.568
local terms energy: -45.417415
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -224.772395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.772395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772395 (E_RNA)
where:
Base-Base interactions energy: -153.404
where: short stacking energy: -56.166
Base-Backbone interact. energy: -1.282
local terms energy: -70.086171
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -17.168
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -226.330129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.330129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.330129 (E_RNA)
where:
Base-Base interactions energy: -148.864
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.016
local terms energy: -77.450173
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -14.075
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -221.574519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.574519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.574519 (E_RNA)
where:
Base-Base interactions energy: -152.835
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.033
local terms energy: -68.706566
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -208.521707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.521707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.521707 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.111
local terms energy: -64.407084
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -10.931
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: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -214.220553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220553 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -63.539
Base-Backbone interact. energy: -2.636
local terms energy: -69.178245
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -200.106128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.106128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.106128 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.073
local terms energy: -74.399278
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -16.178
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: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -151.113139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.113139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.113139 (E_RNA)
where:
Base-Base interactions energy: -91.278
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.146
local terms energy: -59.689571
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -141.827127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.827127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.827127 (E_RNA)
where:
Base-Base interactions energy: -87.141
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.035
local terms energy: -54.650408
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -88.231143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231143 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.147
local terms energy: -61.521218
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -81.771463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.771463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.771463 (E_RNA)
where:
Base-Base interactions energy: -24.399
where: short stacking energy: -14.244
Base-Backbone interact. energy: -0.084
local terms energy: -57.287825
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -230.031420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.031420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.031420 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.058
local terms energy: -71.431370
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -15.354
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -232.245094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.245094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.245094 (E_RNA)
where:
Base-Base interactions energy: -160.441
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.015
local terms energy: -71.788893
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -219.302253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.302253 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.139
local terms energy: -68.825332
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -207.252108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252108 (E_RNA)
where:
Base-Base interactions energy: -137.018
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.036
local terms energy: -70.198424
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -204.018803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.018803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.018803 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.289
local terms energy: -66.732529
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -198.546446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.546446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.546446 (E_RNA)
where:
Base-Base interactions energy: -129.953
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.123
local terms energy: -68.470351
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -176.355393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355393 (E_RNA)
where:
Base-Base interactions energy: -111.788
where: short stacking energy: -44.469
Base-Backbone interact. energy: 0.172
local terms energy: -64.738506
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -142.634922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.634922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.634922 (E_RNA)
where:
Base-Base interactions energy: -96.186
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.233
local terms energy: -46.215931
where:
bonds (distance) C4'-P energy: -5.160
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -3.371
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -93.515211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.515211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.515211 (E_RNA)
where:
Base-Base interactions energy: -41.084
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.164
local terms energy: -52.267200
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -72.010629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.010629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.010629 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -18.052
Base-Backbone interact. energy: -0.123
local terms energy: -48.203988
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -239.405069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.405069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.405069 (E_RNA)
where:
Base-Base interactions energy: -157.525
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.062
local terms energy: -81.817494
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -20.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -231.230218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.230218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.230218 (E_RNA)
where:
Base-Base interactions energy: -152.149
where: short stacking energy: -64.647
Base-Backbone interact. energy: -0.005
local terms energy: -79.076793
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -22.132
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -222.128290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.128290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.128290 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.752
local terms energy: -76.129762
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -21.869
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: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -205.965194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.965194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.965194 (E_RNA)
where:
Base-Base interactions energy: -142.066
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.011
local terms energy: -63.888500
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -14.792
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -197.978573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.978573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.978573 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -58.157
Base-Backbone interact. energy: 0.737
local terms energy: -61.197899
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -200.905252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.905252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.905252 (E_RNA)
where:
Base-Base interactions energy: -133.977
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.040
local terms energy: -66.888514
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -16.875
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -188.919609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.919609 (E_RNA)
where:
Base-Base interactions energy: -128.807
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.784
local terms energy: -59.328813
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -139.086554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.086554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.086554 (E_RNA)
where:
Base-Base interactions energy: -81.288
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.235
local terms energy: -57.563621
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -8.085
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: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -76.335115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.335115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.335115 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.600
local terms energy: -48.602095
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -5.978
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: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -70.952369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.952369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.952369 (E_RNA)
where:
Base-Base interactions energy: -38.505
where: short stacking energy: -20.857
Base-Backbone interact. energy: -0.254
local terms energy: -32.193491
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -232.275215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.275215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.275215 (E_RNA)
where:
Base-Base interactions energy: -159.033
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.212
local terms energy: -73.029615
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -222.918394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.918394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.918394 (E_RNA)
where:
Base-Base interactions energy: -145.992
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.160
local terms energy: -76.765995
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -219.413841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.413841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.413841 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.097
local terms energy: -73.092561
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -211.083620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.083620 (E_RNA)
where:
Base-Base interactions energy: -141.802
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.004
local terms energy: -69.277512
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -204.614750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.614750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.614750 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.352
local terms energy: -67.898644
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -13.539
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: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -222.014007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.014007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.014007 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.018
local terms energy: -70.701458
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -149.039794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.039794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.039794 (E_RNA)
where:
Base-Base interactions energy: -100.322
where: short stacking energy: -44.237
Base-Backbone interact. energy: -0.234
local terms energy: -48.484044
where:
bonds (distance) C4'-P energy: -6.632
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -158.582032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582032 (E_RNA)
where:
Base-Base interactions energy: -88.073
where: short stacking energy: -47.878
Base-Backbone interact. energy: -0.153
local terms energy: -70.356147
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -77.631663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631663 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -28.949
Base-Backbone interact. energy: -0.439
local terms energy: -45.135283
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 0.597
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: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -74.868740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.868740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.868740 (E_RNA)
where:
Base-Base interactions energy: -24.563
where: short stacking energy: -22.466
Base-Backbone interact. energy: -1.281
local terms energy: -49.024892
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -236.872880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.872880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.872880 (E_RNA)
where:
Base-Base interactions energy: -159.537
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.056
local terms energy: -77.280041
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -218.605997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.605997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605997 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.002
local terms energy: -71.773928
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -6.032
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: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -220.689995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.689995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.689995 (E_RNA)
where:
Base-Base interactions energy: -148.539
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.317
local terms energy: -71.833953
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -221.213452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.213452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.213452 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.636
local terms energy: -74.162771
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -205.248513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.248513 (E_RNA)
where:
Base-Base interactions energy: -139.411
where: short stacking energy: -63.328
Base-Backbone interact. energy: 0.986
local terms energy: -66.823859
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -14.637
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -205.001986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.001986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.001986 (E_RNA)
where:
Base-Base interactions energy: -135.609
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.216
local terms energy: -69.177352
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -153.705515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.705515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.705515 (E_RNA)
where:
Base-Base interactions energy: -94.651
where: short stacking energy: -44.721
Base-Backbone interact. energy: -0.643
local terms energy: -58.412088
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -147.969082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.969082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.969082 (E_RNA)
where:
Base-Base interactions energy: -85.446
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.005
local terms energy: -62.518030
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -81.285145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285145 (E_RNA)
where:
Base-Base interactions energy: -24.401
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.393
local terms energy: -56.490951
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -10.370
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: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -89.458508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.458508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.458508 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.403
local terms energy: -50.151133
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -0.772
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -234.486994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.486994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.486994 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -71.693
Base-Backbone interact. energy: 0.275
local terms energy: -77.552439
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -23.003
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: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -214.526836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.526836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.526836 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.097
local terms energy: -71.476539
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -217.236014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236014 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.074
local terms energy: -72.995551
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -230.166239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.166239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.166239 (E_RNA)
where:
Base-Base interactions energy: -149.209
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.033
local terms energy: -80.924535
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -206.043744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.043744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.043744 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.115
local terms energy: -69.676921
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -202.115867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115867 (E_RNA)
where:
Base-Base interactions energy: -141.684
where: short stacking energy: -55.343
Base-Backbone interact. energy: 0.413
local terms energy: -60.844758
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.612
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: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -149.712132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712132 (E_RNA)
where:
Base-Base interactions energy: -92.794
where: short stacking energy: -42.043
Base-Backbone interact. energy: -1.604
local terms energy: -55.314524
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -8.368
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: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -91.454519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.454519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.454519 (E_RNA)
where:
Base-Base interactions energy: -37.484
where: short stacking energy: -28.841
Base-Backbone interact. energy: -0.656
local terms energy: -53.313926
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -1.211
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: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -132.787173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.787173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.787173 (E_RNA)
where:
Base-Base interactions energy: -77.492
where: short stacking energy: -40.069
Base-Backbone interact. energy: -1.645
local terms energy: -53.650311
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -81.796008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.796008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.796008 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.101
local terms energy: -47.704990
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -234.115116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.115116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.115116 (E_RNA)
where:
Base-Base interactions energy: -156.637
where: short stacking energy: -68.432
Base-Backbone interact. energy: -4.041
local terms energy: -73.437715
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -231.635868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.635868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.635868 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.007
local terms energy: -74.945451
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -221.495490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.495490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.495490 (E_RNA)
where:
Base-Base interactions energy: -153.194
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.140
local terms energy: -68.161480
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -208.881530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881530 (E_RNA)
where:
Base-Base interactions energy: -129.079
where: short stacking energy: -56.443
Base-Backbone interact. energy: -2.389
local terms energy: -77.413204
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -16.417
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -206.078154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078154 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.623
local terms energy: -70.647261
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -18.442
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: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -205.133866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.133866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.133866 (E_RNA)
where:
Base-Base interactions energy: -131.201
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.119
local terms energy: -73.813256
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -17.868
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: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -152.354594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.354594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.354594 (E_RNA)
where:
Base-Base interactions energy: -92.810
where: short stacking energy: -46.912
Base-Backbone interact. energy: -1.155
local terms energy: -58.389431
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -98.529986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.529986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.529986 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -35.649
Base-Backbone interact. energy: 0.479
local terms energy: -60.765828
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -148.164046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.164046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.164046 (E_RNA)
where:
Base-Base interactions energy: -90.717
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.296
local terms energy: -57.150871
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -68.800094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.800094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.800094 (E_RNA)
where:
Base-Base interactions energy: -28.820
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.153
local terms energy: -39.827139
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -1.842
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: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -239.525195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525195 (E_RNA)
where:
Base-Base interactions energy: -162.111
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.016
local terms energy: -77.398690
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -22.981
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -229.213873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.213873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.213873 (E_RNA)
where:
Base-Base interactions energy: -149.909
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.437
local terms energy: -78.867887
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -219.062095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.062095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.062095 (E_RNA)
where:
Base-Base interactions energy: -141.144
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.667
local terms energy: -77.251421
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -215.590403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.590403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.590403 (E_RNA)
where:
Base-Base interactions energy: -140.353
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.749
local terms energy: -74.488355
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.047
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -206.039789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.039789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.039789 (E_RNA)
where:
Base-Base interactions energy: -132.198
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.045
local terms energy: -73.796441
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -16.665
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: 401
Temperature: 1.150000
Total energy: -211.763604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763604 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.875
local terms energy: -69.542980
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.240
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: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -160.522139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.522139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.522139 (E_RNA)
where:
Base-Base interactions energy: -103.419
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.884
local terms energy: -56.219187
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -10.067
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: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -145.863730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.863730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.863730 (E_RNA)
where:
Base-Base interactions energy: -85.290
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.600
local terms energy: -59.974099
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -96.720848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.720848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.720848 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.079
local terms energy: -58.986252
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -9.257
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: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -82.075469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075469 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -28.752
Base-Backbone interact. energy: -3.058
local terms energy: -48.797058
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -221.481971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481971 (E_RNA)
where:
Base-Base interactions energy: -153.695
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.085
local terms energy: -67.702563
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -233.666513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666513 (E_RNA)
where:
Base-Base interactions energy: -154.749
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.007
local terms energy: -78.909701
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -24.074
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: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -211.329004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.329004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.329004 (E_RNA)
where:
Base-Base interactions energy: -142.857
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.315
local terms energy: -68.157435
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -208.306755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.306755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.306755 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.438
local terms energy: -61.445528
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -206.191010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.191010 (E_RNA)
where:
Base-Base interactions energy: -134.066
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.013
local terms energy: -72.111932
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -16.865
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -193.147327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147327 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.234
local terms energy: -60.624335
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -15.547
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: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -149.212788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.212788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.212788 (E_RNA)
where:
Base-Base interactions energy: -93.072
where: short stacking energy: -45.808
Base-Backbone interact. energy: -0.488
local terms energy: -55.652357
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -99.898004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898004 (E_RNA)
where:
Base-Base interactions energy: -55.076
where: short stacking energy: -22.707
Base-Backbone interact. energy: -0.417
local terms energy: -44.404820
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -84.406654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406654 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.195
local terms energy: -43.510032
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -1.137
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: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -80.251458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251458 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -26.660
Base-Backbone interact. energy: 0.182
local terms energy: -52.541327
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -1.552
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: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -239.890210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.890210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.890210 (E_RNA)
where:
Base-Base interactions energy: -157.824
where: short stacking energy: -72.857
Base-Backbone interact. energy: -2.975
local terms energy: -79.091520
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -21.471
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: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -222.902056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.902056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902056 (E_RNA)
where:
Base-Base interactions energy: -143.154
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.002
local terms energy: -79.745197
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -9.765
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: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -222.218979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.218979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.218979 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.128
local terms energy: -75.459690
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -205.662858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.662858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.662858 (E_RNA)
where:
Base-Base interactions energy: -138.754
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.011
local terms energy: -66.897219
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -208.761843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761843 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.210
local terms energy: -66.382354
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -207.387882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.387882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.387882 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.030
local terms energy: -68.229707
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -152.030124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.030124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.030124 (E_RNA)
where:
Base-Base interactions energy: -99.759
where: short stacking energy: -43.231
Base-Backbone interact. energy: -0.214
local terms energy: -52.057305
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -6.802
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: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -84.214889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214889 (E_RNA)
where:
Base-Base interactions energy: -32.391
where: short stacking energy: -27.011
Base-Backbone interact. energy: -0.014
local terms energy: -51.809163
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -85.400159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400159 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -23.326
Base-Backbone interact. energy: -0.248
local terms energy: -40.634318
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.711
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: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -74.460082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.460082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.460082 (E_RNA)
where:
Base-Base interactions energy: -22.975
where: short stacking energy: -22.844
Base-Backbone interact. energy: 1.649
local terms energy: -53.133536
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -229.783827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.783827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.783827 (E_RNA)
where:
Base-Base interactions energy: -151.976
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.001
local terms energy: -77.807039
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -19.485
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -236.217982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.217982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.217982 (E_RNA)
where:
Base-Base interactions energy: -158.355
where: short stacking energy: -67.664
Base-Backbone interact. energy: 0.132
local terms energy: -77.994400
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -228.318652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.318652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.318652 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.268
local terms energy: -66.254585
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -19.742
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: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -223.494409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.494409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.494409 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.195
local terms energy: -76.311590
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -20.242
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: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -199.771068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.771068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.771068 (E_RNA)
where:
Base-Base interactions energy: -129.145
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.054
local terms energy: -70.572696
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -202.389307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.389307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.389307 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.064
local terms energy: -69.876190
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -15.165
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: 404
Temperature: 1.200000
Total energy: -172.131376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.131376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.131376 (E_RNA)
where:
Base-Base interactions energy: -111.121
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.754
local terms energy: -60.256528
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -98.731192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.731192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.731192 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.009
local terms energy: -59.162967
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -81.045861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.045861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.045861 (E_RNA)
where:
Base-Base interactions energy: -28.603
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.009
local terms energy: -52.433821
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -74.664907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.664907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.664907 (E_RNA)
where:
Base-Base interactions energy: -26.926
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.016
local terms energy: -47.722594
where:
bonds (distance) C4'-P energy: -5.319
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -234.323434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.323434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.323434 (E_RNA)
where:
Base-Base interactions energy: -158.055
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.055
local terms energy: -76.213560
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -222.031760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.031760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.031760 (E_RNA)
where:
Base-Base interactions energy: -149.983
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.082
local terms energy: -71.966879
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -229.034349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.034349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.034349 (E_RNA)
where:
Base-Base interactions energy: -153.612
where: short stacking energy: -58.827
Base-Backbone interact. energy: 0.705
local terms energy: -76.127014
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -17.071
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -216.107081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.107081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.107081 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.745
local terms energy: -70.571779
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -205.694772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.694772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.694772 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.099
local terms energy: -63.893559
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -190.850717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.850717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.850717 (E_RNA)
where:
Base-Base interactions energy: -124.497
where: short stacking energy: -58.767
Base-Backbone interact. energy: -0.040
local terms energy: -66.312786
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -212.671421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.671421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.671421 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -68.495
Base-Backbone interact. energy: -1.154
local terms energy: -66.675353
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -99.891270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891270 (E_RNA)
where:
Base-Base interactions energy: -41.623
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.466
local terms energy: -57.802591
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -89.969882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.969882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.969882 (E_RNA)
where:
Base-Base interactions energy: -45.860
where: short stacking energy: -39.135
Base-Backbone interact. energy: -0.060
local terms energy: -44.049746
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -74.333869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.333869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.333869 (E_RNA)
where:
Base-Base interactions energy: -36.160
where: short stacking energy: -32.981
Base-Backbone interact. energy: -0.335
local terms energy: -37.838395
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: 4.970
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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -238.259088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.259088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.259088 (E_RNA)
where:
Base-Base interactions energy: -161.715
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.003
local terms energy: -76.541482
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -18.566
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: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -216.053710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.053710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.053710 (E_RNA)
where:
Base-Base interactions energy: -134.773
where: short stacking energy: -64.684
Base-Backbone interact. energy: 0.565
local terms energy: -81.844918
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -20.465
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: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -220.939360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.939360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.939360 (E_RNA)
where:
Base-Base interactions energy: -144.693
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.003
local terms energy: -76.243344
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -22.246
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -207.843711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.843711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.843711 (E_RNA)
where:
Base-Base interactions energy: -144.694
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.113
local terms energy: -63.036682
where:
bonds (distance) C4'-P energy: -8.060
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.374
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: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -200.337524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337524 (E_RNA)
where:
Base-Base interactions energy: -133.053
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.033
local terms energy: -67.251871
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -208.904623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.904623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.904623 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -66.435
Base-Backbone interact. energy: 0.589
local terms energy: -70.857302
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -197.869413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869413 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.039
local terms energy: -62.431875
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -101.033145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.033145 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -29.873
Base-Backbone interact. energy: -1.359
local terms energy: -54.994014
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -75.547922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.547922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.547922 (E_RNA)
where:
Base-Base interactions energy: -22.217
where: short stacking energy: -22.035
Base-Backbone interact. energy: -0.159
local terms energy: -53.171404
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -83.357657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357657 (E_RNA)
where:
Base-Base interactions energy: -34.408
where: short stacking energy: -22.451
Base-Backbone interact. energy: -0.013
local terms energy: -48.937047
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -237.408842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.408842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.408842 (E_RNA)
where:
Base-Base interactions energy: -157.426
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.009
local terms energy: -79.974022
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.415
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: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -231.787210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.787210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.787210 (E_RNA)
where:
Base-Base interactions energy: -157.946
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.010
local terms energy: -73.831347
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -6.112
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -204.034975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.034975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.034975 (E_RNA)
where:
Base-Base interactions energy: -135.451
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.055
local terms energy: -68.529795
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -16.201
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: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -205.746316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.746316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.746316 (E_RNA)
where:
Base-Base interactions energy: -135.477
where: short stacking energy: -66.632
Base-Backbone interact. energy: 0.688
local terms energy: -70.957278
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -209.139380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.139380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.139380 (E_RNA)
where:
Base-Base interactions energy: -139.987
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.221
local terms energy: -68.931570
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -214.401439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.401439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.401439 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.290
local terms energy: -70.081253
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -198.609340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.609340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.609340 (E_RNA)
where:
Base-Base interactions energy: -135.955
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.393
local terms energy: -62.261613
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -87.468784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468784 (E_RNA)
where:
Base-Base interactions energy: -31.280
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.332
local terms energy: -55.856381
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -114.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.090518 (E_RNA)
where:
Base-Base interactions energy: -68.072
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.139
local terms energy: -45.879110
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.435551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.435551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.435551 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -26.927
Base-Backbone interact. energy: -0.148
local terms energy: -51.360909
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -6.787
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -232.965785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.965785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.965785 (E_RNA)
where:
Base-Base interactions energy: -153.516
where: short stacking energy: -76.498
Base-Backbone interact. energy: -0.012
local terms energy: -79.437336
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -220.569025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.569025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.569025 (E_RNA)
where:
Base-Base interactions energy: -152.060
where: short stacking energy: -64.168
Base-Backbone interact. energy: 0.423
local terms energy: -68.931596
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -222.141229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.141229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.141229 (E_RNA)
where:
Base-Base interactions energy: -148.660
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.034
local terms energy: -73.447203
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.746
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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -207.553282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.553282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.553282 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.060
local terms energy: -74.756477
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -209.752639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.752639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.752639 (E_RNA)
where:
Base-Base interactions energy: -136.959
where: short stacking energy: -61.282
Base-Backbone interact. energy: 0.545
local terms energy: -73.339149
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -207.703770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.703770 (E_RNA)
where:
Base-Base interactions energy: -134.057
where: short stacking energy: -50.712
Base-Backbone interact. energy: -0.034
local terms energy: -73.612558
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -198.727408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.727408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.727408 (E_RNA)
where:
Base-Base interactions energy: -140.859
where: short stacking energy: -62.239
Base-Backbone interact. energy: -1.406
local terms energy: -56.462336
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -82.233103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.233103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.233103 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.131
local terms energy: -51.188670
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -83.698334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698334 (E_RNA)
where:
Base-Base interactions energy: -33.498
where: short stacking energy: -33.120
Base-Backbone interact. energy: -0.530
local terms energy: -49.670211
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -7.960
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -4.582
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: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -69.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.032886 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -27.842
Base-Backbone interact. energy: 0.093
local terms energy: -39.478262
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -226.690730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.690730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.690730 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.061
local terms energy: -68.713458
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -216.616961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.616961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.616961 (E_RNA)
where:
Base-Base interactions energy: -147.352
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.439
local terms energy: -68.826130
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -222.696356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.696356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.696356 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.058
local terms energy: -72.750733
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -23.336
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: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -219.146645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146645 (E_RNA)
where:
Base-Base interactions energy: -140.604
where: short stacking energy: -63.426
Base-Backbone interact. energy: 0.293
local terms energy: -78.835966
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -17.638
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: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -213.764888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.764888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.764888 (E_RNA)
where:
Base-Base interactions energy: -139.801
where: short stacking energy: -65.980
Base-Backbone interact. energy: 0.889
local terms energy: -74.853508
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.554
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -198.586762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.586762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.586762 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.284
local terms energy: -63.383806
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -195.772654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.772654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.772654 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.464
local terms energy: -72.569141
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -131.772607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.772607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.772607 (E_RNA)
where:
Base-Base interactions energy: -80.865
where: short stacking energy: -49.537
Base-Backbone interact. energy: -0.005
local terms energy: -50.902970
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -86.572077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572077 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.009
local terms energy: -54.497098
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -71.767718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.767718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.767718 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.232
local terms energy: -43.173405
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -5.791
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -241.224665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.224665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.224665 (E_RNA)
where:
Base-Base interactions energy: -162.144
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.007
local terms energy: -79.074325
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -218.820552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820552 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -70.815
Base-Backbone interact. energy: -0.051
local terms energy: -70.769317
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -214.954201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954201 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.296
local terms energy: -69.644256
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -198.879695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.879695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.879695 (E_RNA)
where:
Base-Base interactions energy: -132.116
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.011
local terms energy: -66.752260
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.369
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -209.255958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.255958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.255958 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.120
local terms energy: -60.571457
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -200.574444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574444 (E_RNA)
where:
Base-Base interactions energy: -142.880
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.034
local terms energy: -57.660321
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -8.371
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: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -162.996691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.996691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.996691 (E_RNA)
where:
Base-Base interactions energy: -105.009
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.339
local terms energy: -57.648589
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -207.955094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.955094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.955094 (E_RNA)
where:
Base-Base interactions energy: -148.245
where: short stacking energy: -65.242
Base-Backbone interact. energy: -0.016
local terms energy: -59.694317
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -2.077
tors. eta vs tors. theta energy: -20.233
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: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -96.523059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.523059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.523059 (E_RNA)
where:
Base-Base interactions energy: -46.980
where: short stacking energy: -28.568
Base-Backbone interact. energy: 0.048
local terms energy: -49.590740
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -3.462
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: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -80.128144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.128144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.128144 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.462
local terms energy: -40.703186
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -222.055158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.055158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.055158 (E_RNA)
where:
Base-Base interactions energy: -147.054
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.525
local terms energy: -74.476132
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -18.955
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: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -225.357064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.357064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.357064 (E_RNA)
where:
Base-Base interactions energy: -147.540
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.454
local terms energy: -77.362908
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -205.127416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.127416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.127416 (E_RNA)
where:
Base-Base interactions energy: -132.818
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.131
local terms energy: -72.178092
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -15.231
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: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -217.008131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.008131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.008131 (E_RNA)
where:
Base-Base interactions energy: -149.801
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.003
local terms energy: -67.204304
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -206.119361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.119361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.119361 (E_RNA)
where:
Base-Base interactions energy: -144.358
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.103
local terms energy: -61.658214
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -199.855712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.855712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.855712 (E_RNA)
where:
Base-Base interactions energy: -139.441
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.040
local terms energy: -60.374512
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -160.833682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.833682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833682 (E_RNA)
where:
Base-Base interactions energy: -110.166
where: short stacking energy: -42.980
Base-Backbone interact. energy: -0.274
local terms energy: -50.393761
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -6.320
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: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -189.434885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.434885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.434885 (E_RNA)
where:
Base-Base interactions energy: -123.348
where: short stacking energy: -55.907
Base-Backbone interact. energy: 1.088
local terms energy: -67.174381
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.160377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.160377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.160377 (E_RNA)
where:
Base-Base interactions energy: -48.902
where: short stacking energy: -27.761
Base-Backbone interact. energy: 2.622
local terms energy: -39.881259
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: 0.006
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: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -65.735185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.735185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.735185 (E_RNA)
where:
Base-Base interactions energy: -20.469
where: short stacking energy: -11.134
Base-Backbone interact. energy: -0.932
local terms energy: -44.333566
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -229.594960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.594960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.594960 (E_RNA)
where:
Base-Base interactions energy: -152.468
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.098
local terms energy: -77.028955
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -218.149699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.149699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.149699 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.379
local terms energy: -71.754255
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -203.966535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.966535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.966535 (E_RNA)
where:
Base-Base interactions energy: -133.508
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.853
local terms energy: -69.604975
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -13.617
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -209.794813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794813 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.025
local terms energy: -67.436801
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -192.639265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.639265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.639265 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.209
local terms energy: -59.147740
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -214.314525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.314525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.314525 (E_RNA)
where:
Base-Base interactions energy: -138.560
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.523
local terms energy: -75.231481
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -189.824633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.824633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.824633 (E_RNA)
where:
Base-Base interactions energy: -125.570
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.206
local terms energy: -64.048792
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -143.456885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.456885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.456885 (E_RNA)
where:
Base-Base interactions energy: -97.415
where: short stacking energy: -37.807
Base-Backbone interact. energy: 0.126
local terms energy: -46.167596
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -92.582290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582290 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.988
local terms energy: -61.081369
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -88.837616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.837616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.837616 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.023
local terms energy: -51.208534
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -228.875205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.875205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.875205 (E_RNA)
where:
Base-Base interactions energy: -150.655
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.760
local terms energy: -77.460283
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -223.042736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042736 (E_RNA)
where:
Base-Base interactions energy: -154.755
where: short stacking energy: -71.776
Base-Backbone interact. energy: -0.004
local terms energy: -68.283759
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -212.523937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.523937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.523937 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.124
local terms energy: -73.007671
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -216.991585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.991585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.991585 (E_RNA)
where:
Base-Base interactions energy: -145.212
where: short stacking energy: -71.058
Base-Backbone interact. energy: -0.015
local terms energy: -71.764470
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.898
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: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -198.231065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.231065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.231065 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -60.143
Base-Backbone interact. energy: 0.908
local terms energy: -66.306748
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -14.859
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: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -206.058506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.058506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.058506 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.005
local terms energy: -63.055267
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -196.913887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.913887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.913887 (E_RNA)
where:
Base-Base interactions energy: -137.534
where: short stacking energy: -60.925
Base-Backbone interact. energy: 0.493
local terms energy: -59.872831
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -148.096274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.096274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.096274 (E_RNA)
where:
Base-Base interactions energy: -87.814
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.414
local terms energy: -59.869098
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -8.579
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -73.314064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.314064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.314064 (E_RNA)
where:
Base-Base interactions energy: -27.961
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.281
local terms energy: -45.071789
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -72.715363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.715363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.715363 (E_RNA)
where:
Base-Base interactions energy: -24.326
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.278
local terms energy: -48.110807
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.633
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: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -233.438524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.438524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.438524 (E_RNA)
where:
Base-Base interactions energy: -155.936
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.013
local terms energy: -77.489025
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -231.389335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.389335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.389335 (E_RNA)
where:
Base-Base interactions energy: -156.671
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.053
local terms energy: -74.665850
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -216.172760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.172760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.172760 (E_RNA)
where:
Base-Base interactions energy: -147.915
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.342
local terms energy: -67.915862
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -6.457
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -193.609369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.609369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.609369 (E_RNA)
where:
Base-Base interactions energy: -133.858
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.170
local terms energy: -59.580670
where:
bonds (distance) C4'-P energy: -7.221
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -12.921
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: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -218.318069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318069 (E_RNA)
where:
Base-Base interactions energy: -151.261
where: short stacking energy: -64.816
Base-Backbone interact. energy: -1.133
local terms energy: -65.923558
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -185.102223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.102223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.102223 (E_RNA)
where:
Base-Base interactions energy: -121.574
where: short stacking energy: -43.161
Base-Backbone interact. energy: -0.215
local terms energy: -63.313224
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -12.687
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: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -200.108579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.108579 (E_RNA)
where:
Base-Base interactions energy: -132.760
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.129
local terms energy: -67.220072
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -153.233666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.233666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.233666 (E_RNA)
where:
Base-Base interactions energy: -92.150
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.743
local terms energy: -60.341271
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -87.870956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.870956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.870956 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.079
local terms energy: -56.232058
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -73.296535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.296535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.296535 (E_RNA)
where:
Base-Base interactions energy: -24.803
where: short stacking energy: -20.695
Base-Backbone interact. energy: 0.913
local terms energy: -49.405750
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -232.662919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662919 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.020
local terms energy: -83.275625
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -13.294
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: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -216.260198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.260198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260198 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.085
local terms energy: -73.307437
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -212.168127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168127 (E_RNA)
where:
Base-Base interactions energy: -135.774
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.031
local terms energy: -76.363307
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -203.227609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.227609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.227609 (E_RNA)
where:
Base-Base interactions energy: -133.475
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.064
local terms energy: -69.688532
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -17.460
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -190.141411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141411 (E_RNA)
where:
Base-Base interactions energy: -131.249
where: short stacking energy: -62.350
Base-Backbone interact. energy: -2.042
local terms energy: -56.849860
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -209.038234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.038234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.038234 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.501
local terms energy: -67.551775
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -191.408929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.408929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.408929 (E_RNA)
where:
Base-Base interactions energy: -117.425
where: short stacking energy: -52.412
Base-Backbone interact. energy: -0.150
local terms energy: -73.834329
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -149.800913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.800913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.800913 (E_RNA)
where:
Base-Base interactions energy: -90.792
where: short stacking energy: -36.952
Base-Backbone interact. energy: -0.367
local terms energy: -58.642111
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -91.662371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662371 (E_RNA)
where:
Base-Base interactions energy: -34.738
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.146
local terms energy: -56.777874
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -8.607
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: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -72.320831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.320831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.320831 (E_RNA)
where:
Base-Base interactions energy: -21.892
where: short stacking energy: -21.992
Base-Backbone interact. energy: 0.073
local terms energy: -50.501596
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -219.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548504 (E_RNA)
where:
Base-Base interactions energy: -148.208
where: short stacking energy: -64.475
Base-Backbone interact. energy: 0.581
local terms energy: -71.921024
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -19.595
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: 416
Temperature: 0.950000
Total energy: -217.491083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.491083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.491083 (E_RNA)
where:
Base-Base interactions energy: -149.468
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.179
local terms energy: -67.844017
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -220.105900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.105900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.105900 (E_RNA)
where:
Base-Base interactions energy: -149.543
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.007
local terms energy: -70.555192
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -20.896
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -207.754970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754970 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.123
local terms energy: -78.596286
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -16.001
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: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -221.058236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.058236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.058236 (E_RNA)
where:
Base-Base interactions energy: -151.775
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.001
local terms energy: -69.282148
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -23.121
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: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -204.048284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.048284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.048284 (E_RNA)
where:
Base-Base interactions energy: -142.848
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.041
local terms energy: -61.158783
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -156.326971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.326971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.326971 (E_RNA)
where:
Base-Base interactions energy: -96.315
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.024
local terms energy: -59.987425
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -143.092473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.092473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.092473 (E_RNA)
where:
Base-Base interactions energy: -83.272
where: short stacking energy: -31.731
Base-Backbone interact. energy: 0.185
local terms energy: -60.005371
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -72.993219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.993219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.993219 (E_RNA)
where:
Base-Base interactions energy: -18.898
where: short stacking energy: -18.898
Base-Backbone interact. energy: -0.031
local terms energy: -54.063943
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -132.607674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.607674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.607674 (E_RNA)
where:
Base-Base interactions energy: -85.710
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.082
local terms energy: -46.815039
where:
bonds (distance) C4'-P energy: -2.560
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -226.284550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.284550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.284550 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -67.073
Base-Backbone interact. energy: -2.513
local terms energy: -75.380557
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.015
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: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -229.405966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.405966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.405966 (E_RNA)
where:
Base-Base interactions energy: -153.309
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.001
local terms energy: -76.096352
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -223.056280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.056280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.056280 (E_RNA)
where:
Base-Base interactions energy: -150.852
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.001
local terms energy: -72.203977
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -18.555
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -215.525525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.525525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525525 (E_RNA)
where:
Base-Base interactions energy: -140.907
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.223
local terms energy: -74.395075
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -200.185727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.185727 (E_RNA)
where:
Base-Base interactions energy: -136.462
where: short stacking energy: -55.476
Base-Backbone interact. energy: -1.207
local terms energy: -62.516321
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -204.077718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.077718 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.032
local terms energy: -78.106793
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -13.261
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -146.312283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.312283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.312283 (E_RNA)
where:
Base-Base interactions energy: -92.453
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.231
local terms energy: -53.628394
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -6.706
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: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -149.057770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.057770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.057770 (E_RNA)
where:
Base-Base interactions energy: -89.697
where: short stacking energy: -40.082
Base-Backbone interact. energy: -1.176
local terms energy: -58.185075
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -87.824197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.824197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.824197 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.047
local terms energy: -49.339372
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -0.724
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -131.223420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.223420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.223420 (E_RNA)
where:
Base-Base interactions energy: -76.235
where: short stacking energy: -34.262
Base-Backbone interact. energy: -0.134
local terms energy: -54.854779
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -224.433753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.433753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.433753 (E_RNA)
where:
Base-Base interactions energy: -147.882
where: short stacking energy: -72.771
Base-Backbone interact. energy: -1.523
local terms energy: -75.028673
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -229.080889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.080889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080889 (E_RNA)
where:
Base-Base interactions energy: -151.017
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.048
local terms energy: -78.015902
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.978
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -218.474332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.474332 (E_RNA)
where:
Base-Base interactions energy: -146.919
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.036
local terms energy: -71.519724
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -219.399836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399836 (E_RNA)
where:
Base-Base interactions energy: -140.340
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.002
local terms energy: -79.057850
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -197.577201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.577201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.577201 (E_RNA)
where:
Base-Base interactions energy: -129.168
where: short stacking energy: -58.914
Base-Backbone interact. energy: -1.166
local terms energy: -67.243570
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.127
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: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -201.930118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.930118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.930118 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.807
local terms energy: -75.465965
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -190.812423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.812423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.812423 (E_RNA)
where:
Base-Base interactions energy: -117.242
where: short stacking energy: -52.907
Base-Backbone interact. energy: -0.248
local terms energy: -73.323202
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.136
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: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -147.275178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.275178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.275178 (E_RNA)
where:
Base-Base interactions energy: -86.548
where: short stacking energy: -39.770
Base-Backbone interact. energy: -0.176
local terms energy: -60.551824
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -151.141153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.141153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.141153 (E_RNA)
where:
Base-Base interactions energy: -90.370
where: short stacking energy: -37.639
Base-Backbone interact. energy: 1.403
local terms energy: -62.173981
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.155
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: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.131871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.131871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.131871 (E_RNA)
where:
Base-Base interactions energy: -26.160
where: short stacking energy: -27.143
Base-Backbone interact. energy: -0.022
local terms energy: -52.950479
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -237.233321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.233321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.233321 (E_RNA)
where:
Base-Base interactions energy: -159.565
where: short stacking energy: -74.700
Base-Backbone interact. energy: -0.002
local terms energy: -77.666234
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.038
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: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -234.822067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.822067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.822067 (E_RNA)
where:
Base-Base interactions energy: -157.419
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.245
local terms energy: -77.157433
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -207.895382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.895382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.895382 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.308
local terms energy: -69.509801
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -214.069906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.069906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.069906 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.002
local terms energy: -71.429163
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -17.419
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: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -205.361598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.361598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.361598 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.101
local terms energy: -71.165404
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -211.618736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.618736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.618736 (E_RNA)
where:
Base-Base interactions energy: -145.787
where: short stacking energy: -64.513
Base-Backbone interact. energy: -0.001
local terms energy: -65.830472
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -190.391920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.391920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.391920 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -53.015
Base-Backbone interact. energy: 1.270
local terms energy: -61.089933
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -141.930859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.930859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.930859 (E_RNA)
where:
Base-Base interactions energy: -82.806
where: short stacking energy: -35.820
Base-Backbone interact. energy: -0.143
local terms energy: -58.981797
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -154.044073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.044073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.044073 (E_RNA)
where:
Base-Base interactions energy: -87.283
where: short stacking energy: -44.796
Base-Backbone interact. energy: -0.233
local terms energy: -66.527991
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.914
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.514579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514579 (E_RNA)
where:
Base-Base interactions energy: -29.292
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.380
local terms energy: -50.842862
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -236.251578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.251578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.251578 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.422
local terms energy: -78.746925
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -237.399402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.399402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.399402 (E_RNA)
where:
Base-Base interactions energy: -152.684
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.512
local terms energy: -84.202874
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -218.405414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.405414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.405414 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.101
local terms energy: -81.033774
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -209.521495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.521495 (E_RNA)
where:
Base-Base interactions energy: -141.267
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.474
local terms energy: -67.781006
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -18.717
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: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -206.807398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.807398 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.100
local terms energy: -70.697164
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -206.143030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.143030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.143030 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -54.959
Base-Backbone interact. energy: -1.546
local terms energy: -74.448090
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -15.554
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: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -182.370440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.370440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.370440 (E_RNA)
where:
Base-Base interactions energy: -113.243
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.087
local terms energy: -69.040324
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -143.997881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.997881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.997881 (E_RNA)
where:
Base-Base interactions energy: -90.332
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.013
local terms energy: -53.652306
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -162.122614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.122614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.122614 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -37.868
Base-Backbone interact. energy: -0.447
local terms energy: -52.127998
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -80.965824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965824 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.246
local terms energy: -39.708286
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -2.465
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -244.353097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.353097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.353097 (E_RNA)
where:
Base-Base interactions energy: -169.879
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.002
local terms energy: -74.471555
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -21.777
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: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -230.878870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.878870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.878870 (E_RNA)
where:
Base-Base interactions energy: -152.561
where: short stacking energy: -69.362
Base-Backbone interact. energy: -2.836
local terms energy: -75.481912
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -216.946383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.946383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.946383 (E_RNA)
where:
Base-Base interactions energy: -154.273
where: short stacking energy: -59.549
Base-Backbone interact. energy: 0.940
local terms energy: -63.613036
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -12.446
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: 421
Temperature: 1.050000
Total energy: -209.788385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.788385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.788385 (E_RNA)
where:
Base-Base interactions energy: -136.748
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.069
local terms energy: -72.971384
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -203.884490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.884490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.884490 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -60.082
Base-Backbone interact. energy: -1.989
local terms energy: -66.320584
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -200.985208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.985208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.985208 (E_RNA)
where:
Base-Base interactions energy: -135.167
where: short stacking energy: -55.221
Base-Backbone interact. energy: 0.153
local terms energy: -65.970906
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -161.444889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.444889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.444889 (E_RNA)
where:
Base-Base interactions energy: -109.647
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.554
local terms energy: -51.243911
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -6.099
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -145.709506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.709506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.709506 (E_RNA)
where:
Base-Base interactions energy: -90.140
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.088
local terms energy: -55.480919
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -137.221508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.221508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.221508 (E_RNA)
where:
Base-Base interactions energy: -81.537
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.720
local terms energy: -54.964202
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -77.437517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.437517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.437517 (E_RNA)
where:
Base-Base interactions energy: -28.382
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.278
local terms energy: -48.777381
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -1.097
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: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -244.707983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.707983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.707983 (E_RNA)
where:
Base-Base interactions energy: -161.579
where: short stacking energy: -74.278
Base-Backbone interact. energy: -0.004
local terms energy: -83.124868
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -23.770
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: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -238.012511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.012511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.012511 (E_RNA)
where:
Base-Base interactions energy: -158.674
where: short stacking energy: -77.287
Base-Backbone interact. energy: -0.019
local terms energy: -79.319044
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -211.715010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715010 (E_RNA)
where:
Base-Base interactions energy: -135.852
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.057
local terms energy: -75.806289
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -8.311
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: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -219.267271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.267271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.267271 (E_RNA)
where:
Base-Base interactions energy: -143.059
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.794
local terms energy: -75.415177
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -18.738
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: 422
Temperature: 1.100000
Total energy: -205.876049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.876049 (E_RNA)
where:
Base-Base interactions energy: -140.208
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.311
local terms energy: -65.356852
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -16.572
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: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -192.928533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.928533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928533 (E_RNA)
where:
Base-Base interactions energy: -123.501
where: short stacking energy: -51.412
Base-Backbone interact. energy: -0.003
local terms energy: -69.423902
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -157.847021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.847021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.847021 (E_RNA)
where:
Base-Base interactions energy: -96.094
where: short stacking energy: -49.122
Base-Backbone interact. energy: -0.067
local terms energy: -61.686362
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -140.360662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.360662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.360662 (E_RNA)
where:
Base-Base interactions energy: -77.706
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.357
local terms energy: -62.297577
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -102.249125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.249125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.249125 (E_RNA)
where:
Base-Base interactions energy: -56.790
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.138
local terms energy: -45.320528
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -79.578075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.578075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.578075 (E_RNA)
where:
Base-Base interactions energy: -31.331
where: short stacking energy: -21.147
Base-Backbone interact. energy: -0.135
local terms energy: -48.112395
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -224.532636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.532636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.532636 (E_RNA)
where:
Base-Base interactions energy: -156.770
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.240
local terms energy: -67.523162
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -20.095
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: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -223.052459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.052459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.052459 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.056
local terms energy: -71.874186
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -224.398598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.398598 (E_RNA)
where:
Base-Base interactions energy: -142.692
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.004
local terms energy: -81.702978
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -18.514
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -218.246552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.246552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.246552 (E_RNA)
where:
Base-Base interactions energy: -146.834
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.208
local terms energy: -71.204536
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -209.209489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.209489 (E_RNA)
where:
Base-Base interactions energy: -138.050
where: short stacking energy: -63.554
Base-Backbone interact. energy: -1.056
local terms energy: -70.103405
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -16.080
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -204.800047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.800047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.800047 (E_RNA)
where:
Base-Base interactions energy: -137.097
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.017
local terms energy: -67.686174
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -153.314708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.314708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.314708 (E_RNA)
where:
Base-Base interactions energy: -92.303
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.087
local terms energy: -60.925234
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.984913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.984913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.984913 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.293
local terms energy: -52.977662
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -140.403991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.403991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.403991 (E_RNA)
where:
Base-Base interactions energy: -81.287
where: short stacking energy: -45.793
Base-Backbone interact. energy: -0.020
local terms energy: -59.097019
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -13.649
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: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -65.268304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.268304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.268304 (E_RNA)
where:
Base-Base interactions energy: -16.952
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.117
local terms energy: -48.200290
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: 2.101
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: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -212.710123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.710123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.710123 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.370
local terms energy: -72.877450
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -227.884195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.884195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.884195 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.010
local terms energy: -76.831597
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -228.879492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.879492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.879492 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.000
local terms energy: -75.792694
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -13.730
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: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -203.913525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.913525 (E_RNA)
where:
Base-Base interactions energy: -144.330
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.051
local terms energy: -59.533082
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -214.960911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.960911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.960911 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.001
local terms energy: -69.496240
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.038
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -210.100076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.100076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.100076 (E_RNA)
where:
Base-Base interactions energy: -136.779
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.046
local terms energy: -73.274581
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -148.640165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.640165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.640165 (E_RNA)
where:
Base-Base interactions energy: -85.722
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.041
local terms energy: -62.876664
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -82.773428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773428 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -24.047
Base-Backbone interact. energy: -0.479
local terms energy: -44.552052
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -144.543613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543613 (E_RNA)
where:
Base-Base interactions energy: -82.752
where: short stacking energy: -45.906
Base-Backbone interact. energy: -0.001
local terms energy: -61.790649
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -12.686
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: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.459869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.459869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.459869 (E_RNA)
where:
Base-Base interactions energy: -25.984
where: short stacking energy: -22.796
Base-Backbone interact. energy: -0.181
local terms energy: -53.294957
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -219.905312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.905312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.905312 (E_RNA)
where:
Base-Base interactions energy: -146.656
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.020
local terms energy: -73.229391
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -231.412707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.412707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.412707 (E_RNA)
where:
Base-Base interactions energy: -160.871
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.306
local terms energy: -70.235244
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -213.419961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.419961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.419961 (E_RNA)
where:
Base-Base interactions energy: -138.671
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.105
local terms energy: -74.643366
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -20.145
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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -223.861735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861735 (E_RNA)
where:
Base-Base interactions energy: -144.133
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.130
local terms energy: -79.599234
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -201.427022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427022 (E_RNA)
where:
Base-Base interactions energy: -133.849
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.101
local terms energy: -67.477088
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -158.076189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.076189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.076189 (E_RNA)
where:
Base-Base interactions energy: -99.234
where: short stacking energy: -52.273
Base-Backbone interact. energy: 0.128
local terms energy: -58.970020
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -198.311202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.311202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.311202 (E_RNA)
where:
Base-Base interactions energy: -134.053
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.147
local terms energy: -64.111808
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -13.056
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: 425
Temperature: 1.250000
Total energy: -136.706588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.706588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.706588 (E_RNA)
where:
Base-Base interactions energy: -82.621
where: short stacking energy: -35.471
Base-Backbone interact. energy: 1.689
local terms energy: -55.773994
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -143.920630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.920630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.920630 (E_RNA)
where:
Base-Base interactions energy: -87.626
where: short stacking energy: -39.201
Base-Backbone interact. energy: 0.570
local terms energy: -56.865100
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -71.188791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.188791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.188791 (E_RNA)
where:
Base-Base interactions energy: -30.933
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.123
local terms energy: -40.133074
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: 0.338
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -233.140022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.140022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140022 (E_RNA)
where:
Base-Base interactions energy: -150.738
where: short stacking energy: -68.007
Base-Backbone interact. energy: -3.059
local terms energy: -79.343250
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -229.318341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.318341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.318341 (E_RNA)
where:
Base-Base interactions energy: -155.849
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.598
local terms energy: -72.871517
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -13.810
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: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -226.432969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432969 (E_RNA)
where:
Base-Base interactions energy: -150.502
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.002
local terms energy: -75.929425
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -225.900780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.900780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.900780 (E_RNA)
where:
Base-Base interactions energy: -149.176
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.009
local terms energy: -76.715187
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.599
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: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -202.066356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.066356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.066356 (E_RNA)
where:
Base-Base interactions energy: -132.928
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.434
local terms energy: -68.704505
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -147.293638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.293638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.293638 (E_RNA)
where:
Base-Base interactions energy: -89.993
where: short stacking energy: -43.200
Base-Backbone interact. energy: -0.745
local terms energy: -56.555417
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.950
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -202.662884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.662884 (E_RNA)
where:
Base-Base interactions energy: -135.603
where: short stacking energy: -57.024
Base-Backbone interact. energy: 2.410
local terms energy: -69.469857
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -145.280282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.280282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.280282 (E_RNA)
where:
Base-Base interactions energy: -93.067
where: short stacking energy: -49.688
Base-Backbone interact. energy: -0.210
local terms energy: -52.003533
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -168.855395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.855395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.855395 (E_RNA)
where:
Base-Base interactions energy: -106.938
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.006
local terms energy: -61.911531
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -13.429
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: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -81.360281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.360281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.360281 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.003
local terms energy: -55.412397
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -6.490
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: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -241.690678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.690678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.690678 (E_RNA)
where:
Base-Base interactions energy: -163.433
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.239
local terms energy: -78.017850
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -20.740
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: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -229.436721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.436721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.436721 (E_RNA)
where:
Base-Base interactions energy: -157.907
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.020
local terms energy: -71.509397
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.403
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -233.383692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.383692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.383692 (E_RNA)
where:
Base-Base interactions energy: -157.881
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.416
local terms energy: -75.087117
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -213.663177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.663177 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.330
local terms energy: -67.760643
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -219.259135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.259135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.259135 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.469
local terms energy: -70.335967
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -199.266211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266211 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.054
local terms energy: -65.821797
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -142.164015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.164015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.164015 (E_RNA)
where:
Base-Base interactions energy: -85.752
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.281
local terms energy: -56.130487
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -4.526
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -147.890506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.890506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.890506 (E_RNA)
where:
Base-Base interactions energy: -82.702
where: short stacking energy: -38.491
Base-Backbone interact. energy: -1.276
local terms energy: -63.912420
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -124.945376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.945376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.945376 (E_RNA)
where:
Base-Base interactions energy: -71.649
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.898
local terms energy: -52.398234
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -2.261
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: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -76.379814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.379814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.379814 (E_RNA)
where:
Base-Base interactions energy: -28.501
where: short stacking energy: -24.767
Base-Backbone interact. energy: -0.113
local terms energy: -47.765585
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -8.579
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -1.749
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -238.419405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.419405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.419405 (E_RNA)
where:
Base-Base interactions energy: -158.407
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.002
local terms energy: -80.010274
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -13.567
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: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -225.374699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.374699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.374699 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -72.687
Base-Backbone interact. energy: -0.031
local terms energy: -77.424089
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -219.394490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.394490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.394490 (E_RNA)
where:
Base-Base interactions energy: -146.309
where: short stacking energy: -54.230
Base-Backbone interact. energy: -0.099
local terms energy: -72.986743
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -212.571859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.571859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.571859 (E_RNA)
where:
Base-Base interactions energy: -141.817
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.297
local terms energy: -70.457783
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -21.211
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: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -205.871928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871928 (E_RNA)
where:
Base-Base interactions energy: -132.904
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.010
local terms energy: -72.958440
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -13.861
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: 428
Temperature: 1.150000
Total energy: -213.070909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.070909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.070909 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.722
local terms energy: -73.435314
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -148.857450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.857450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.857450 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -43.575
Base-Backbone interact. energy: -0.204
local terms energy: -60.038584
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -145.219009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.219009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.219009 (E_RNA)
where:
Base-Base interactions energy: -78.408
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.409
local terms energy: -66.402055
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -154.846271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.846271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.846271 (E_RNA)
where:
Base-Base interactions energy: -88.042
where: short stacking energy: -48.662
Base-Backbone interact. energy: -0.003
local terms energy: -66.801149
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -11.473
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: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.404821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.404821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.404821 (E_RNA)
where:
Base-Base interactions energy: -29.557
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.054
local terms energy: -47.793753
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -226.872757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.872757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.872757 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.039
local terms energy: -74.666961
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -9.663
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: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -230.139496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.139496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139496 (E_RNA)
where:
Base-Base interactions energy: -159.477
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.051
local terms energy: -70.611367
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -236.879055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.879055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.879055 (E_RNA)
where:
Base-Base interactions energy: -156.830
where: short stacking energy: -67.879
Base-Backbone interact. energy: -2.506
local terms energy: -77.543055
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -20.224
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: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -214.715001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.715001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.715001 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.124
local terms energy: -75.771435
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.301
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: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -216.895536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895536 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.072
local terms energy: -77.557030
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -19.393
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: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -211.710382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.710382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.710382 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.643
local terms energy: -75.288533
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -166.613754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.613754 (E_RNA)
where:
Base-Base interactions energy: -103.972
where: short stacking energy: -48.235
Base-Backbone interact. energy: -0.279
local terms energy: -62.361900
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -142.466119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.466119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.466119 (E_RNA)
where:
Base-Base interactions energy: -86.927
where: short stacking energy: -45.189
Base-Backbone interact. energy: -0.057
local terms energy: -55.481498
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -7.721
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: 429
Temperature: 1.300000
Total energy: -137.840424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.840424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.840424 (E_RNA)
where:
Base-Base interactions energy: -94.799
where: short stacking energy: -37.598
Base-Backbone interact. energy: 0.290
local terms energy: -43.330476
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -6.903
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -84.136385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136385 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.164
local terms energy: -56.474036
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -5.709
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: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -235.003554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.003554 (E_RNA)
where:
Base-Base interactions energy: -150.123
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.003
local terms energy: -84.878028
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -222.714620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.714620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.714620 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.069
local terms energy: -73.598945
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -220.999505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.999505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.999505 (E_RNA)
where:
Base-Base interactions energy: -147.502
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.738
local terms energy: -72.759166
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -206.427134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.427134 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.115
local terms energy: -64.465527
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -16.117
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: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -212.253918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.253918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.253918 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -64.268
Base-Backbone interact. energy: 0.963
local terms energy: -72.465433
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -209.433495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433495 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.002
local terms energy: -69.818663
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -149.353587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.353587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.353587 (E_RNA)
where:
Base-Base interactions energy: -82.791
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.011
local terms energy: -66.552033
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.011
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: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -169.913912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.913912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.913912 (E_RNA)
where:
Base-Base interactions energy: -112.431
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.156
local terms energy: -57.327739
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -80.902230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.902230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.902230 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.594
local terms energy: -48.534945
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -143.015909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.015909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.015909 (E_RNA)
where:
Base-Base interactions energy: -81.157
where: short stacking energy: -42.438
Base-Backbone interact. energy: 0.185
local terms energy: -62.044203
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -234.482755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.482755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.482755 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.083
local terms energy: -78.042359
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -216.355689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.355689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.355689 (E_RNA)
where:
Base-Base interactions energy: -142.259
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.320
local terms energy: -73.776357
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -16.589
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -216.145558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.145558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.145558 (E_RNA)
where:
Base-Base interactions energy: -144.734
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.029
local terms energy: -71.382758
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -17.979
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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -220.969948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.969948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.969948 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -70.633
Base-Backbone interact. energy: 0.901
local terms energy: -65.977160
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -197.164265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164265 (E_RNA)
where:
Base-Base interactions energy: -128.009
where: short stacking energy: -56.472
Base-Backbone interact. energy: -1.176
local terms energy: -67.978714
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.059
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: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -147.714307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.714307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.714307 (E_RNA)
where:
Base-Base interactions energy: -90.095
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.261
local terms energy: -57.358291
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -11.282
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: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -179.657032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.657032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.657032 (E_RNA)
where:
Base-Base interactions energy: -111.458
where: short stacking energy: -42.761
Base-Backbone interact. energy: -0.166
local terms energy: -68.033630
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -14.130
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: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -148.712736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.712736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.712736 (E_RNA)
where:
Base-Base interactions energy: -90.212
where: short stacking energy: -37.730
Base-Backbone interact. energy: -1.076
local terms energy: -57.424235
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -4.761
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: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -83.098589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.098589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.098589 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -25.434
Base-Backbone interact. energy: -0.256
local terms energy: -42.980139
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -136.916759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.916759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.916759 (E_RNA)
where:
Base-Base interactions energy: -79.070
where: short stacking energy: -39.680
Base-Backbone interact. energy: -1.173
local terms energy: -56.673340
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -238.537530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.537530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.537530 (E_RNA)
where:
Base-Base interactions energy: -165.582
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.002
local terms energy: -72.953475
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -222.620039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.620039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.620039 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.009
local terms energy: -73.111578
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -215.924434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924434 (E_RNA)
where:
Base-Base interactions energy: -140.064
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.221
local terms energy: -75.640084
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -217.819870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.819870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.819870 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.220
local terms energy: -66.360532
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -211.036927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.036927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.036927 (E_RNA)
where:
Base-Base interactions energy: -144.579
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.121
local terms energy: -66.337207
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -17.500
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: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -148.213110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.213110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.213110 (E_RNA)
where:
Base-Base interactions energy: -95.805
where: short stacking energy: -46.606
Base-Backbone interact. energy: -0.040
local terms energy: -52.368253
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -9.618
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -152.342569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.342569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.342569 (E_RNA)
where:
Base-Base interactions energy: -97.921
where: short stacking energy: -41.728
Base-Backbone interact. energy: -0.330
local terms energy: -54.091692
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -7.648
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: 432
Temperature: 1.250000
Total energy: -135.149055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.149055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.149055 (E_RNA)
where:
Base-Base interactions energy: -77.266
where: short stacking energy: -31.463
Base-Backbone interact. energy: 0.625
local terms energy: -58.508158
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -96.865796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.865796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.865796 (E_RNA)
where:
Base-Base interactions energy: -53.425
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.074
local terms energy: -43.366424
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -1.017
tors. eta vs tors. theta energy: -4.391
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: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -85.669835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669835 (E_RNA)
where:
Base-Base interactions energy: -33.937
where: short stacking energy: -29.468
Base-Backbone interact. energy: 0.304
local terms energy: -52.036526
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -235.565957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.565957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.565957 (E_RNA)
where:
Base-Base interactions energy: -158.652
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.907
local terms energy: -76.007548
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -227.533160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.533160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533160 (E_RNA)
where:
Base-Base interactions energy: -158.450
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.373
local terms energy: -68.710239
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -219.569309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569309 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.039
local terms energy: -72.918558
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -220.437859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.437859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.437859 (E_RNA)
where:
Base-Base interactions energy: -141.270
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.024
local terms energy: -79.143515
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -12.898
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: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -225.950052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.950052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.950052 (E_RNA)
where:
Base-Base interactions energy: -146.969
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.555
local terms energy: -78.426797
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -155.897205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.897205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.897205 (E_RNA)
where:
Base-Base interactions energy: -93.130
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.122
local terms energy: -62.645285
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -147.600144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.600144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.600144 (E_RNA)
where:
Base-Base interactions energy: -90.147
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.100
local terms energy: -57.352605
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.454
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: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -83.069373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.069373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.069373 (E_RNA)
where:
Base-Base interactions energy: -27.702
where: short stacking energy: -23.440
Base-Backbone interact. energy: -0.430
local terms energy: -54.937290
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -0.433
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: 433
Temperature: 1.300000
Total energy: -147.285638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.285638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.285638 (E_RNA)
where:
Base-Base interactions energy: -88.110
where: short stacking energy: -40.881
Base-Backbone interact. energy: 0.383
local terms energy: -59.559030
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -9.675
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: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.684679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.684679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.684679 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.037
local terms energy: -44.313945
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -3.058
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: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -233.705573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.705573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.705573 (E_RNA)
where:
Base-Base interactions energy: -157.702
where: short stacking energy: -65.407
Base-Backbone interact. energy: -1.671
local terms energy: -74.331907
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -229.024618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.024618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.024618 (E_RNA)
where:
Base-Base interactions energy: -153.139
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.054
local terms energy: -75.831805
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -214.329678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.329678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.329678 (E_RNA)
where:
Base-Base interactions energy: -143.244
where: short stacking energy: -66.668
Base-Backbone interact. energy: 0.493
local terms energy: -71.578459
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -210.889515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.889515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.889515 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.039
local terms energy: -68.165998
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -6.899
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: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -210.793126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.793126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.793126 (E_RNA)
where:
Base-Base interactions energy: -149.452
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.169
local terms energy: -61.171945
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -147.950861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.950861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.950861 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -42.509
Base-Backbone interact. energy: 0.637
local terms energy: -51.880530
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -150.532668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.532668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.532668 (E_RNA)
where:
Base-Base interactions energy: -86.027
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.072
local terms energy: -64.433558
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -10.598
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -89.906902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.906902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.906902 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -34.327
Base-Backbone interact. energy: 2.315
local terms energy: -57.894305
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -5.096
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: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -133.118694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.118694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.118694 (E_RNA)
where:
Base-Base interactions energy: -73.623
where: short stacking energy: -37.844
Base-Backbone interact. energy: -0.049
local terms energy: -59.446592
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -88.232139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.232139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.232139 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.122
local terms energy: -52.402739
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -237.899711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.899711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.899711 (E_RNA)
where:
Base-Base interactions energy: -163.944
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.104
local terms energy: -73.852119
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -19.187
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: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.487190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487190 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.204
local terms energy: -74.165799
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -226.871117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.871117 (E_RNA)
where:
Base-Base interactions energy: -152.414
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.077
local terms energy: -74.380082
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -22.798
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: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -205.946156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.946156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946156 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.545
local terms energy: -73.018168
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -202.837614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.837614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.837614 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.024
local terms energy: -72.616669
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -16.970
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: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -165.990971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.990971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.990971 (E_RNA)
where:
Base-Base interactions energy: -105.961
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.779
local terms energy: -59.250883
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -3.490
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: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -139.848354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.848354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.848354 (E_RNA)
where:
Base-Base interactions energy: -78.796
where: short stacking energy: -38.096
Base-Backbone interact. energy: -0.027
local terms energy: -61.025311
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -6.974
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -143.238332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.238332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.238332 (E_RNA)
where:
Base-Base interactions energy: -90.642
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.172
local terms energy: -52.424205
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.015
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -82.658026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.658026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.658026 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -36.436
Base-Backbone interact. energy: -0.191
local terms energy: -46.031547
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -81.729444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.729444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.729444 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -22.647
Base-Backbone interact. energy: -1.435
local terms energy: -47.400504
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -239.590963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.590963 (E_RNA)
where:
Base-Base interactions energy: -168.642
where: short stacking energy: -69.313
Base-Backbone interact. energy: -0.424
local terms energy: -70.525047
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.383
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: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -227.824741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824741 (E_RNA)
where:
Base-Base interactions energy: -153.313
where: short stacking energy: -62.487
Base-Backbone interact. energy: -0.016
local terms energy: -74.495884
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -215.578903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.578903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.578903 (E_RNA)
where:
Base-Base interactions energy: -147.010
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.004
local terms energy: -68.565140
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -6.370
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: 436
Temperature: 1.050000
Total energy: -211.728218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.728218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728218 (E_RNA)
where:
Base-Base interactions energy: -140.592
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.006
local terms energy: -71.129544
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.135
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: 436
Temperature: 1.100000
Total energy: -205.632058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.632058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.632058 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.096
local terms energy: -61.182323
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -169.077707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.077707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.077707 (E_RNA)
where:
Base-Base interactions energy: -100.846
where: short stacking energy: -45.288
Base-Backbone interact. energy: 0.292
local terms energy: -68.524549
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -143.034455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.034455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.034455 (E_RNA)
where:
Base-Base interactions energy: -82.629
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.211
local terms energy: -60.195045
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -140.261351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.261351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.261351 (E_RNA)
where:
Base-Base interactions energy: -82.129
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.810
local terms energy: -57.322512
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -91.744193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744193 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -26.788
Base-Backbone interact. energy: 0.855
local terms energy: -49.515001
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -83.827938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.827938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.827938 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.085
local terms energy: -46.300511
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -224.811233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.811233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.811233 (E_RNA)
where:
Base-Base interactions energy: -151.054
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.097
local terms energy: -73.659984
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -14.062
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: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -228.729135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.729135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.729135 (E_RNA)
where:
Base-Base interactions energy: -157.583
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.461
local terms energy: -70.684843
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -22.155
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -226.725780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.725780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.725780 (E_RNA)
where:
Base-Base interactions energy: -162.850
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.095
local terms energy: -63.781552
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -207.762092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.762092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.762092 (E_RNA)
where:
Base-Base interactions energy: -139.836
where: short stacking energy: -57.130
Base-Backbone interact. energy: 0.809
local terms energy: -68.735522
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -17.189
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -211.759316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.759316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.759316 (E_RNA)
where:
Base-Base interactions energy: -138.568
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.107
local terms energy: -73.084352
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -19.637
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: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -165.491913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.491913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.491913 (E_RNA)
where:
Base-Base interactions energy: -106.832
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.080
local terms energy: -58.580055
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -146.599193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.599193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.599193 (E_RNA)
where:
Base-Base interactions energy: -84.505
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.480
local terms energy: -61.614242
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -94.703101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.703101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.703101 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -36.791
Base-Backbone interact. energy: 0.714
local terms energy: -46.904055
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -134.460212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.460212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.460212 (E_RNA)
where:
Base-Base interactions energy: -77.713
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.301
local terms energy: -56.446279
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -76.724467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.724467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.724467 (E_RNA)
where:
Base-Base interactions energy: -25.048
where: short stacking energy: -24.637
Base-Backbone interact. energy: 0.209
local terms energy: -51.886003
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -231.853768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.853768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.853768 (E_RNA)
where:
Base-Base interactions energy: -152.765
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.691
local terms energy: -78.398375
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -10.750
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: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -224.326560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.326560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.326560 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.007
local terms energy: -73.154103
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -12.043
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -229.174387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.174387 (E_RNA)
where:
Base-Base interactions energy: -153.051
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.215
local terms energy: -75.908126
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -210.105287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.105287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.105287 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -56.125
Base-Backbone interact. energy: 1.768
local terms energy: -75.360245
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -20.224
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: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -202.786368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.786368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.786368 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -60.113
Base-Backbone interact. energy: 1.439
local terms energy: -68.013500
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -149.287374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.287374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.287374 (E_RNA)
where:
Base-Base interactions energy: -90.304
where: short stacking energy: -45.680
Base-Backbone interact. energy: -0.059
local terms energy: -58.924755
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -153.935311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.935311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.935311 (E_RNA)
where:
Base-Base interactions energy: -96.011
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.804
local terms energy: -57.120233
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -107.247429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.247429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.247429 (E_RNA)
where:
Base-Base interactions energy: -50.676
where: short stacking energy: -39.792
Base-Backbone interact. energy: 0.751
local terms energy: -57.321925
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -142.922446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.922446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.922446 (E_RNA)
where:
Base-Base interactions energy: -85.379
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.255
local terms energy: -57.288632
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -71.885986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.885986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.885986 (E_RNA)
where:
Base-Base interactions energy: -21.001
where: short stacking energy: -12.419
Base-Backbone interact. energy: -0.222
local terms energy: -50.663450
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: 1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -222.606339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.606339 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -70.753
Base-Backbone interact. energy: -0.218
local terms energy: -79.430395
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -17.809
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: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -224.662488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.662488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.662488 (E_RNA)
where:
Base-Base interactions energy: -158.810
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.032
local terms energy: -65.821146
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -219.745126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.745126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.745126 (E_RNA)
where:
Base-Base interactions energy: -150.441
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.001
local terms energy: -69.303312
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -217.028238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.028238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.028238 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.018
local terms energy: -75.783405
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -201.488554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.488554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488554 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.001
local terms energy: -69.291509
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -152.975607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.975607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.975607 (E_RNA)
where:
Base-Base interactions energy: -89.208
where: short stacking energy: -48.761
Base-Backbone interact. energy: -0.095
local terms energy: -63.672760
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -151.736886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.736886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.736886 (E_RNA)
where:
Base-Base interactions energy: -91.025
where: short stacking energy: -42.423
Base-Backbone interact. energy: 0.793
local terms energy: -61.504888
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -144.217131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.217131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.217131 (E_RNA)
where:
Base-Base interactions energy: -87.666
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.218
local terms energy: -56.333300
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -92.387461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387461 (E_RNA)
where:
Base-Base interactions energy: -44.555
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.149
local terms energy: -47.683075
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -6.005
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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -79.451366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.451366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.451366 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -26.964
Base-Backbone interact. energy: 0.442
local terms energy: -34.599585
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -7.179
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: 0.971
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: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -229.262475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.262475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.262475 (E_RNA)
where:
Base-Base interactions energy: -153.374
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.436
local terms energy: -75.452355
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -236.172656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.172656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.172656 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.523
local terms energy: -81.892691
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -214.533501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.533501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.533501 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.080
local terms energy: -71.463306
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.630
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: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -209.340007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.340007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.340007 (E_RNA)
where:
Base-Base interactions energy: -138.998
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.004
local terms energy: -70.338171
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -207.427062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.427062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.427062 (E_RNA)
where:
Base-Base interactions energy: -140.162
where: short stacking energy: -62.392
Base-Backbone interact. energy: 0.762
local terms energy: -68.027434
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -146.651686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.651686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.651686 (E_RNA)
where:
Base-Base interactions energy: -94.891
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.201
local terms energy: -51.559342
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -143.983821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.983821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.983821 (E_RNA)
where:
Base-Base interactions energy: -84.471
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.125
local terms energy: -59.388134
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -139.522060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.522060 (E_RNA)
where:
Base-Base interactions energy: -85.358
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.262
local terms energy: -53.901971
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -77.194619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.194619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.194619 (E_RNA)
where:
Base-Base interactions energy: -26.247
where: short stacking energy: -26.247
Base-Backbone interact. energy: -0.040
local terms energy: -50.907589
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -5.679
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: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -124.655171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.655171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.655171 (E_RNA)
where:
Base-Base interactions energy: -75.590
where: short stacking energy: -42.611
Base-Backbone interact. energy: -0.147
local terms energy: -48.918371
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -7.907
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -239.624588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.624588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.624588 (E_RNA)
where:
Base-Base interactions energy: -158.733
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.114
local terms energy: -80.778369
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -230.424938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.424938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.424938 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.008
local terms energy: -81.064449
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.673
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: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -230.434158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.434158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.434158 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -73.917
Base-Backbone interact. energy: -0.084
local terms energy: -74.430014
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.784
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: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -213.477976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.477976 (E_RNA)
where:
Base-Base interactions energy: -144.193
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.232
local terms energy: -69.052495
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -220.872414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.872414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.872414 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.198
local terms energy: -69.432660
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -7.041
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -159.818524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.818524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.818524 (E_RNA)
where:
Base-Base interactions energy: -94.929
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.228
local terms energy: -64.661647
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -157.429582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.429582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.429582 (E_RNA)
where:
Base-Base interactions energy: -95.666
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.734
local terms energy: -61.030135
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -102.979369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.979369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.979369 (E_RNA)
where:
Base-Base interactions energy: -66.758
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.036
local terms energy: -36.185826
where:
bonds (distance) C4'-P energy: -7.126
bonds (distance) P-C4' energy: -6.878
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -141.809443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.809443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.809443 (E_RNA)
where:
Base-Base interactions energy: -87.578
where: short stacking energy: -40.670
Base-Backbone interact. energy: -0.333
local terms energy: -53.898626
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.469
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: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -134.310971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.310971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.310971 (E_RNA)
where:
Base-Base interactions energy: -78.241
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.223
local terms energy: -55.846354
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -238.403260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.403260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.403260 (E_RNA)
where:
Base-Base interactions energy: -159.606
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.098
local terms energy: -78.699507
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.418
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: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -226.164545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.164545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.164545 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.100
local terms energy: -71.953202
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -229.666165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.666165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.666165 (E_RNA)
where:
Base-Base interactions energy: -150.057
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.026
local terms energy: -79.582925
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.185
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -220.041382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.041382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.041382 (E_RNA)
where:
Base-Base interactions energy: -145.201
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.517
local terms energy: -74.324332
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -201.614392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.614392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.614392 (E_RNA)
where:
Base-Base interactions energy: -129.186
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.002
local terms energy: -72.426949
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -161.286875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.286875 (E_RNA)
where:
Base-Base interactions energy: -106.686
where: short stacking energy: -54.756
Base-Backbone interact. energy: 2.545
local terms energy: -57.145437
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -100.452681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.452681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.452681 (E_RNA)
where:
Base-Base interactions energy: -44.122
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.706
local terms energy: -55.624800
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -142.330270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.330270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.330270 (E_RNA)
where:
Base-Base interactions energy: -85.138
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.441
local terms energy: -56.751211
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.049
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -139.957403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.957403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.957403 (E_RNA)
where:
Base-Base interactions energy: -88.262
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.114
local terms energy: -51.581099
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -136.809707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.809707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.809707 (E_RNA)
where:
Base-Base interactions energy: -78.610
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.048
local terms energy: -58.151696
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.826
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: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -234.610998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.610998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.610998 (E_RNA)
where:
Base-Base interactions energy: -161.249
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.102
local terms energy: -73.260051
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -211.807536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.807536 (E_RNA)
where:
Base-Base interactions energy: -137.956
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.013
local terms energy: -73.837909
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -225.370439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.370439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.370439 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.033
local terms energy: -73.649368
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -232.453411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.453411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.453411 (E_RNA)
where:
Base-Base interactions energy: -152.446
where: short stacking energy: -74.969
Base-Backbone interact. energy: -0.059
local terms energy: -79.948498
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -200.556502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.556502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556502 (E_RNA)
where:
Base-Base interactions energy: -132.731
where: short stacking energy: -62.367
Base-Backbone interact. energy: 1.033
local terms energy: -68.859126
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -151.847727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.847727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.847727 (E_RNA)
where:
Base-Base interactions energy: -92.906
where: short stacking energy: -44.601
Base-Backbone interact. energy: 0.024
local terms energy: -58.965976
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -96.457602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457602 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -23.385
Base-Backbone interact. energy: -0.023
local terms energy: -63.165138
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -135.770982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.770982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.770982 (E_RNA)
where:
Base-Base interactions energy: -81.733
where: short stacking energy: -35.831
Base-Backbone interact. energy: -0.978
local terms energy: -53.059366
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -6.672
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: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -137.159819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.159819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.159819 (E_RNA)
where:
Base-Base interactions energy: -88.513
where: short stacking energy: -35.881
Base-Backbone interact. energy: -0.175
local terms energy: -48.471575
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -148.217773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.217773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.217773 (E_RNA)
where:
Base-Base interactions energy: -91.204
where: short stacking energy: -52.382
Base-Backbone interact. energy: -0.106
local terms energy: -56.907746
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.006
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: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -229.652783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.652783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.652783 (E_RNA)
where:
Base-Base interactions energy: -153.095
where: short stacking energy: -63.059
Base-Backbone interact. energy: -1.046
local terms energy: -75.511358
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -10.378
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: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -237.106180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.106180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.106180 (E_RNA)
where:
Base-Base interactions energy: -159.381
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.294
local terms energy: -77.431311
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -210.834077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.834077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.834077 (E_RNA)
where:
Base-Base interactions energy: -138.052
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.058
local terms energy: -72.724171
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -201.148965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.148965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.148965 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.795
local terms energy: -70.762402
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -229.203073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.203073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.203073 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.006
local terms energy: -72.364145
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -21.978
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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -159.222637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.222637 (E_RNA)
where:
Base-Base interactions energy: -99.240
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.189
local terms energy: -59.793744
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -10.385
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: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -159.747512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.747512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.747512 (E_RNA)
where:
Base-Base interactions energy: -96.059
where: short stacking energy: -42.854
Base-Backbone interact. energy: -0.089
local terms energy: -63.599427
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -85.619554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.619554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.619554 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -16.074
Base-Backbone interact. energy: -0.188
local terms energy: -51.711267
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -132.877625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.877625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.877625 (E_RNA)
where:
Base-Base interactions energy: -82.211
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.018
local terms energy: -50.648393
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -7.144
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -129.909666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.909666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.909666 (E_RNA)
where:
Base-Base interactions energy: -79.040
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.180
local terms energy: -50.689692
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -224.893834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.893834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.893834 (E_RNA)
where:
Base-Base interactions energy: -149.828
where: short stacking energy: -64.097
Base-Backbone interact. energy: 0.607
local terms energy: -75.672698
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -229.431713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.431713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.431713 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.010
local terms energy: -83.036680
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -219.690938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690938 (E_RNA)
where:
Base-Base interactions energy: -150.296
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.074
local terms energy: -69.320736
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.608
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: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -203.610681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.610681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.610681 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -64.930
Base-Backbone interact. energy: -1.122
local terms energy: -70.009124
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -208.552115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.552115 (E_RNA)
where:
Base-Base interactions energy: -142.342
where: short stacking energy: -60.684
Base-Backbone interact. energy: 0.233
local terms energy: -66.443179
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -199.237746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.237746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.237746 (E_RNA)
where:
Base-Base interactions energy: -132.460
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.269
local terms energy: -66.508336
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -156.870341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.870341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.870341 (E_RNA)
where:
Base-Base interactions energy: -96.946
where: short stacking energy: -47.393
Base-Backbone interact. energy: -1.116
local terms energy: -58.808529
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -11.531
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: 445
Temperature: 1.250000
Total energy: -135.528271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.528271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.528271 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.382
local terms energy: -50.007923
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -143.846208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.846208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.846208 (E_RNA)
where:
Base-Base interactions energy: -87.609
where: short stacking energy: -42.982
Base-Backbone interact. energy: 1.614
local terms energy: -57.851492
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -74.295555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.295555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.295555 (E_RNA)
where:
Base-Base interactions energy: -25.028
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.027
local terms energy: -49.240084
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -235.204963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.204963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.204963 (E_RNA)
where:
Base-Base interactions energy: -158.881
where: short stacking energy: -71.409
Base-Backbone interact. energy: -0.415
local terms energy: -75.909373
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -19.385
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: 446
Temperature: 0.950000
Total energy: -223.786098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.786098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.786098 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.092
local terms energy: -76.099922
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -18.336
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -212.187858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.187858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.187858 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.087
local terms energy: -71.987806
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -218.363592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.363592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.363592 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.001
local terms energy: -77.359181
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -204.663450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.663450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.663450 (E_RNA)
where:
Base-Base interactions energy: -143.311
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.003
local terms energy: -61.350007
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -17.347
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -203.490650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.490650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.490650 (E_RNA)
where:
Base-Base interactions energy: -134.506
where: short stacking energy: -62.110
Base-Backbone interact. energy: 0.362
local terms energy: -69.346629
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -149.992132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.992132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.992132 (E_RNA)
where:
Base-Base interactions energy: -88.516
where: short stacking energy: -35.872
Base-Backbone interact. energy: -0.140
local terms energy: -61.335550
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -143.169815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.169815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.169815 (E_RNA)
where:
Base-Base interactions energy: -89.169
where: short stacking energy: -37.923
Base-Backbone interact. energy: 0.632
local terms energy: -54.632615
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -133.294691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.294691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.294691 (E_RNA)
where:
Base-Base interactions energy: -82.607
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.224
local terms energy: -50.463730
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -73.737580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.737580 (E_RNA)
where:
Base-Base interactions energy: -28.808
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.028
local terms energy: -44.900985
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -6.031
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -228.184140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.184140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.184140 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.067
local terms energy: -74.961510
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -17.343
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -234.968128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.968128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.968128 (E_RNA)
where:
Base-Base interactions energy: -156.957
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.774
local terms energy: -77.236569
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -227.841721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.841721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.841721 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -67.593
Base-Backbone interact. energy: -0.001
local terms energy: -67.134051
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -18.261
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: 447
Temperature: 1.050000
Total energy: -205.645862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.645862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.645862 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.011
local terms energy: -69.720770
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -199.966864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.966864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.966864 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.054
local terms energy: -68.297316
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -198.600499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.600499 (E_RNA)
where:
Base-Base interactions energy: -129.540
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.627
local terms energy: -68.433267
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -159.290926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.290926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.290926 (E_RNA)
where:
Base-Base interactions energy: -91.848
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.227
local terms energy: -67.215993
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -145.561725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.561725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.561725 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -44.375
Base-Backbone interact. energy: 0.584
local terms energy: -51.845518
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -101.111255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.111255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.111255 (E_RNA)
where:
Base-Base interactions energy: -56.748
where: short stacking energy: -19.230
Base-Backbone interact. energy: -0.606
local terms energy: -43.757027
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -71.424630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.424630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.424630 (E_RNA)
where:
Base-Base interactions energy: -24.303
where: short stacking energy: -23.236
Base-Backbone interact. energy: 1.942
local terms energy: -49.063213
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -2.215
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -226.819379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.819379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.819379 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.037
local terms energy: -76.720854
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -229.865628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.865628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.865628 (E_RNA)
where:
Base-Base interactions energy: -157.342
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.020
local terms energy: -72.503594
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -221.351533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.351533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.351533 (E_RNA)
where:
Base-Base interactions energy: -157.624
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.001
local terms energy: -63.726425
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -21.012
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: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -218.565239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.565239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.565239 (E_RNA)
where:
Base-Base interactions energy: -147.653
where: short stacking energy: -63.567
Base-Backbone interact. energy: -0.170
local terms energy: -70.742211
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.268
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: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -207.226122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.226122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.226122 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.029
local terms energy: -75.779361
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -191.482486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.482486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.482486 (E_RNA)
where:
Base-Base interactions energy: -124.455
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.001
local terms energy: -67.026788
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -168.718768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.718768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.718768 (E_RNA)
where:
Base-Base interactions energy: -103.417
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.614
local terms energy: -64.687018
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -147.689052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.689052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.689052 (E_RNA)
where:
Base-Base interactions energy: -94.156
where: short stacking energy: -46.619
Base-Backbone interact. energy: -0.062
local terms energy: -53.470431
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -78.569625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569625 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -20.664
Base-Backbone interact. energy: -0.244
local terms energy: -45.869842
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -6.927
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -82.669297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.669297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.669297 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -29.969
Base-Backbone interact. energy: -0.055
local terms energy: -47.446156
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -238.398171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.398171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.398171 (E_RNA)
where:
Base-Base interactions energy: -162.260
where: short stacking energy: -75.979
Base-Backbone interact. energy: -2.109
local terms energy: -74.028349
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.782
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: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -231.068439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.068439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.068439 (E_RNA)
where:
Base-Base interactions energy: -147.033
where: short stacking energy: -65.134
Base-Backbone interact. energy: -3.327
local terms energy: -80.708078
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -218.605896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.605896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605896 (E_RNA)
where:
Base-Base interactions energy: -146.366
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.005
local terms energy: -72.234624
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -17.930
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: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -219.368351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.368351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.368351 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -57.604
Base-Backbone interact. energy: 0.795
local terms energy: -71.149550
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -206.563999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.563999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.563999 (E_RNA)
where:
Base-Base interactions energy: -140.897
where: short stacking energy: -53.918
Base-Backbone interact. energy: 1.705
local terms energy: -67.372343
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -200.796125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.796125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796125 (E_RNA)
where:
Base-Base interactions energy: -130.528
where: short stacking energy: -67.307
Base-Backbone interact. energy: -0.001
local terms energy: -70.267063
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.901
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -150.983778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.983778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.983778 (E_RNA)
where:
Base-Base interactions energy: -89.226
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.007
local terms energy: -61.750553
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -11.450
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: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -190.090784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.090784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.090784 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.650
local terms energy: -67.889722
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -77.024654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.024654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.024654 (E_RNA)
where:
Base-Base interactions energy: -19.034
where: short stacking energy: -15.700
Base-Backbone interact. energy: -0.295
local terms energy: -57.695860
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -10.808
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: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -81.701278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.701278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.701278 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.262
local terms energy: -48.924320
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -232.359427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.359427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.359427 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.020
local terms energy: -78.921616
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.789
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: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -224.859440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.859440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.859440 (E_RNA)
where:
Base-Base interactions energy: -151.500
where: short stacking energy: -69.194
Base-Backbone interact. energy: -0.002
local terms energy: -73.356836
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -19.243
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: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -233.542244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542244 (E_RNA)
where:
Base-Base interactions energy: -152.339
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.003
local terms energy: -81.200377
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -13.333
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: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -213.317876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.317876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.317876 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.005
local terms energy: -77.243957
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -210.302993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.302993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302993 (E_RNA)
where:
Base-Base interactions energy: -139.296
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.138
local terms energy: -70.869081
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -18.994
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: 450
Temperature: 1.150000
Total energy: -211.604779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.604779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.604779 (E_RNA)
where:
Base-Base interactions energy: -143.166
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.054
local terms energy: -68.384992
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -203.841206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.841206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.841206 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.064
local terms energy: -69.882552
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -135.011521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.011521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.011521 (E_RNA)
where:
Base-Base interactions energy: -77.609
where: short stacking energy: -37.278
Base-Backbone interact. energy: 0.128
local terms energy: -57.530495
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -11.125
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: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -90.456940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.456940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.456940 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -30.866
Base-Backbone interact. energy: 2.379
local terms energy: -49.467792
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.977703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.977703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.977703 (E_RNA)
where:
Base-Base interactions energy: -28.358
where: short stacking energy: -18.277
Base-Backbone interact. energy: -0.182
local terms energy: -51.437922
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -4.027
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -234.947288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.947288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.947288 (E_RNA)
where:
Base-Base interactions energy: -150.515
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.009
local terms energy: -84.422679
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -229.074100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.074100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.074100 (E_RNA)
where:
Base-Base interactions energy: -153.291
where: short stacking energy: -65.873
Base-Backbone interact. energy: -0.002
local terms energy: -75.781505
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -10.132
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -213.441981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.441981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.441981 (E_RNA)
where:
Base-Base interactions energy: -140.340
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.873
local terms energy: -72.229938
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -212.724020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.724020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.724020 (E_RNA)
where:
Base-Base interactions energy: -140.916
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.808
local terms energy: -71.000956
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -6.225
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: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -203.405168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.405168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.405168 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.809
local terms energy: -66.683744
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -9.299
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: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -200.063023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.063023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.063023 (E_RNA)
where:
Base-Base interactions energy: -125.573
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.024
local terms energy: -74.466123
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -188.056932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.056932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.056932 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -53.985
Base-Backbone interact. energy: -0.224
local terms energy: -57.818886
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -88.415014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.415014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.415014 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.186
local terms energy: -58.322642
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -138.000531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.000531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.000531 (E_RNA)
where:
Base-Base interactions energy: -77.718
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.328
local terms energy: -59.954428
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -5.971
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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -79.886141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.886141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.886141 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.360
local terms energy: -50.308015
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -232.981211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.981211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.981211 (E_RNA)
where:
Base-Base interactions energy: -155.207
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.458
local terms energy: -77.316381
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.816
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: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -231.693652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.693652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.693652 (E_RNA)
where:
Base-Base interactions energy: -158.219
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.754
local terms energy: -72.720463
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -18.149
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: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -214.237886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.237886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.237886 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -72.193
Base-Backbone interact. energy: -0.010
local terms energy: -72.765692
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -221.584085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.584085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.584085 (E_RNA)
where:
Base-Base interactions energy: -150.492
where: short stacking energy: -61.509
Base-Backbone interact. energy: -0.058
local terms energy: -71.033377
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -203.637637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.637637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.637637 (E_RNA)
where:
Base-Base interactions energy: -134.360
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.662
local terms energy: -68.615814
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -211.516093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.516093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.516093 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.001
local terms energy: -63.133720
where:
bonds (distance) C4'-P energy: -1.656
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -191.868042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.868042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.868042 (E_RNA)
where:
Base-Base interactions energy: -115.629
where: short stacking energy: -52.511
Base-Backbone interact. energy: -0.243
local terms energy: -75.996472
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.058
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -92.615481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.615481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.615481 (E_RNA)
where:
Base-Base interactions energy: -40.907
where: short stacking energy: -29.173
Base-Backbone interact. energy: 0.747
local terms energy: -52.456284
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -146.612396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.612396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.612396 (E_RNA)
where:
Base-Base interactions energy: -87.448
where: short stacking energy: -44.440
Base-Backbone interact. energy: 0.129
local terms energy: -59.294139
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.618907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.618907 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -26.519
Base-Backbone interact. energy: 1.257
local terms energy: -51.270282
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -224.084024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.084024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.084024 (E_RNA)
where:
Base-Base interactions energy: -150.950
where: short stacking energy: -58.573
Base-Backbone interact. energy: -0.008
local terms energy: -73.125651
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -15.958
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: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -221.854813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.854813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.854813 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -67.883
Base-Backbone interact. energy: -0.014
local terms energy: -67.988546
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -6.824
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -224.969761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.969761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.969761 (E_RNA)
where:
Base-Base interactions energy: -147.792
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.008
local terms energy: -77.170175
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -21.844
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: 453
Temperature: 1.050000
Total energy: -211.612716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612716 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.010
local terms energy: -70.890464
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -196.259724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.259724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.259724 (E_RNA)
where:
Base-Base interactions energy: -125.925
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.876
local terms energy: -69.458495
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -200.360455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.360455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.360455 (E_RNA)
where:
Base-Base interactions energy: -134.528
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.041
local terms energy: -65.791420
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.466
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: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -191.170167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.170167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.170167 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.038
local terms energy: -57.115726
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -135.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.719433 (E_RNA)
where:
Base-Base interactions energy: -83.717
where: short stacking energy: -35.357
Base-Backbone interact. energy: -0.463
local terms energy: -51.540207
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: -9.464
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: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -77.208087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.208087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.208087 (E_RNA)
where:
Base-Base interactions energy: -25.969
where: short stacking energy: -25.969
Base-Backbone interact. energy: -0.130
local terms energy: -51.108484
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.294566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.294566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.294566 (E_RNA)
where:
Base-Base interactions energy: -24.975
where: short stacking energy: -24.975
Base-Backbone interact. energy: -1.136
local terms energy: -51.183769
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -232.456083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.456083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.456083 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.028
local terms energy: -76.661626
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -12.499
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: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -217.162273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162273 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.127
local terms energy: -68.048725
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -215.001444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001444 (E_RNA)
where:
Base-Base interactions energy: -138.437
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.121
local terms energy: -76.443862
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -21.822
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: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -212.638297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638297 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.023
local terms energy: -73.839441
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -18.784
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: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -210.453393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.453393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.453393 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.295
local terms energy: -69.130624
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -18.770
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -206.034209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.034209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.034209 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.181
local terms energy: -67.084804
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -16.288
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -137.287418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.287418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.287418 (E_RNA)
where:
Base-Base interactions energy: -85.869
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.215
local terms energy: -51.203451
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -191.996322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.996322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.996322 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -58.454
Base-Backbone interact. energy: -0.546
local terms energy: -62.414316
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -97.013864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.013864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.013864 (E_RNA)
where:
Base-Base interactions energy: -42.219
where: short stacking energy: -21.800
Base-Backbone interact. energy: -1.086
local terms energy: -53.709405
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -72.501050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.501050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.501050 (E_RNA)
where:
Base-Base interactions energy: -20.454
where: short stacking energy: -13.613
Base-Backbone interact. energy: -0.142
local terms energy: -51.905233
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -1.778
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: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -237.578660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.578660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.578660 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -73.461
Base-Backbone interact. energy: -1.964
local terms energy: -76.916359
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -230.178070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178070 (E_RNA)
where:
Base-Base interactions energy: -157.220
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.636
local terms energy: -72.322183
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -208.952290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952290 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -57.922
Base-Backbone interact. energy: 3.293
local terms energy: -74.191908
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -219.522388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.522388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.522388 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.002
local terms energy: -64.358452
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -208.354440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.354440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.354440 (E_RNA)
where:
Base-Base interactions energy: -141.194
where: short stacking energy: -64.280
Base-Backbone interact. energy: 1.196
local terms energy: -68.356673
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -20.471
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -208.043066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.043066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.043066 (E_RNA)
where:
Base-Base interactions energy: -138.707
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.549
local terms energy: -68.786735
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -167.262585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.262585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.262585 (E_RNA)
where:
Base-Base interactions energy: -106.733
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.567
local terms energy: -59.963178
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -147.511789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.511789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.511789 (E_RNA)
where:
Base-Base interactions energy: -88.254
where: short stacking energy: -42.178
Base-Backbone interact. energy: -1.167
local terms energy: -58.091185
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -73.815422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.815422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.815422 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -14.794
Base-Backbone interact. energy: 0.030
local terms energy: -43.223539
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: 3.972
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: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -76.265451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.265451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.265451 (E_RNA)
where:
Base-Base interactions energy: -30.333
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.206
local terms energy: -45.726642
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -232.422507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.422507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.422507 (E_RNA)
where:
Base-Base interactions energy: -161.278
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.572
local terms energy: -70.572324
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -16.966
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: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -211.538876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.538876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.538876 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.080
local terms energy: -68.613077
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -221.776576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776576 (E_RNA)
where:
Base-Base interactions energy: -152.401
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.473
local terms energy: -68.902941
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -19.391
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -202.550838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.550838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.550838 (E_RNA)
where:
Base-Base interactions energy: -136.736
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.464
local terms energy: -65.350504
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -211.062414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.062414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.062414 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.017
local terms energy: -74.793964
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -202.959658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959658 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -59.775
Base-Backbone interact. energy: -0.012
local terms energy: -70.817972
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -16.477
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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -143.709505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.709505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.709505 (E_RNA)
where:
Base-Base interactions energy: -86.040
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.036
local terms energy: -57.634305
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -156.963190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.963190 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -50.496
Base-Backbone interact. energy: -0.049
local terms energy: -56.215354
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -77.258888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.258888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.258888 (E_RNA)
where:
Base-Base interactions energy: -22.865
where: short stacking energy: -19.391
Base-Backbone interact. energy: -0.218
local terms energy: -54.175982
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -76.476138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.476138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.476138 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -25.586
Base-Backbone interact. energy: -0.437
local terms energy: -44.311786
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: 1.215
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: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -234.165816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.165816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.165816 (E_RNA)
where:
Base-Base interactions energy: -158.335
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.020
local terms energy: -75.811159
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -21.471
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: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -223.799607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.799607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.799607 (E_RNA)
where:
Base-Base interactions energy: -148.418
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.770
local terms energy: -74.612350
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.284
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: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -201.168700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168700 (E_RNA)
where:
Base-Base interactions energy: -136.322
where: short stacking energy: -59.668
Base-Backbone interact. energy: -0.326
local terms energy: -64.520676
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -222.752536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.752536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.752536 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -66.498
Base-Backbone interact. energy: 0.756
local terms energy: -67.443036
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -211.610296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610296 (E_RNA)
where:
Base-Base interactions energy: -148.409
where: short stacking energy: -56.455
Base-Backbone interact. energy: -0.542
local terms energy: -62.659050
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -205.256414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.256414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.256414 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.662
local terms energy: -71.678020
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.071
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -151.391754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.391754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.391754 (E_RNA)
where:
Base-Base interactions energy: -88.429
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.254
local terms energy: -62.709122
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -11.090
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -148.188304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.188304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.188304 (E_RNA)
where:
Base-Base interactions energy: -92.065
where: short stacking energy: -45.352
Base-Backbone interact. energy: -0.292
local terms energy: -55.831341
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -86.798004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798004 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.071
local terms energy: -54.995190
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -74.279417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.279417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.279417 (E_RNA)
where:
Base-Base interactions energy: -24.876
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.305
local terms energy: -49.098769
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -1.396
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: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -228.212592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.212592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.212592 (E_RNA)
where:
Base-Base interactions energy: -150.770
where: short stacking energy: -73.604
Base-Backbone interact. energy: 0.098
local terms energy: -77.540658
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -21.230
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -220.648007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.648007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.648007 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.272
local terms energy: -81.058656
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -215.285431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.285431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.285431 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.019
local terms energy: -68.741030
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -223.052662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.052662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.052662 (E_RNA)
where:
Base-Base interactions energy: -149.934
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.027
local terms energy: -73.091665
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -206.088872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.088872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.088872 (E_RNA)
where:
Base-Base interactions energy: -141.200
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.401
local terms energy: -64.487859
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -200.944238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.944238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.944238 (E_RNA)
where:
Base-Base interactions energy: -128.574
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.321
local terms energy: -72.049419
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -15.963
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: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -152.251524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.251524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.251524 (E_RNA)
where:
Base-Base interactions energy: -84.394
where: short stacking energy: -29.527
Base-Backbone interact. energy: -0.003
local terms energy: -67.854464
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -139.031230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.031230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.031230 (E_RNA)
where:
Base-Base interactions energy: -87.771
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.082
local terms energy: -51.178681
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -80.448964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448964 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.047
local terms energy: -49.358347
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -73.428721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.428721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.428721 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.288
local terms energy: -44.212854
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.011
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: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -240.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.671834 (E_RNA)
where:
Base-Base interactions energy: -162.855
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.040
local terms energy: -77.776794
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -20.548
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: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -233.655810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.655810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.655810 (E_RNA)
where:
Base-Base interactions energy: -157.538
where: short stacking energy: -69.635
Base-Backbone interact. energy: -1.423
local terms energy: -74.694593
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -214.711377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.711377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.711377 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.444
local terms energy: -75.286892
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -217.158715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.158715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.158715 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.589
local terms energy: -74.309922
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -210.479443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.479443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.479443 (E_RNA)
where:
Base-Base interactions energy: -137.532
where: short stacking energy: -66.413
Base-Backbone interact. energy: 1.262
local terms energy: -74.210159
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -201.265126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.265126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.265126 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.493
local terms energy: -72.580317
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.134
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: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -165.538171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.538171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.538171 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -57.293
Base-Backbone interact. energy: -0.664
local terms energy: -60.535124
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -8.684
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -154.115117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.115117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.115117 (E_RNA)
where:
Base-Base interactions energy: -94.586
where: short stacking energy: -54.156
Base-Backbone interact. energy: 3.347
local terms energy: -62.876132
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -99.303106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303106 (E_RNA)
where:
Base-Base interactions energy: -54.048
where: short stacking energy: -33.835
Base-Backbone interact. energy: -0.063
local terms energy: -45.191808
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -73.992429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.992429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.992429 (E_RNA)
where:
Base-Base interactions energy: -28.051
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.035
local terms energy: -45.906008
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -0.403
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -240.004154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.004154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.004154 (E_RNA)
where:
Base-Base interactions energy: -159.054
where: short stacking energy: -76.727
Base-Backbone interact. energy: -1.228
local terms energy: -79.722047
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -219.623911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.623911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.623911 (E_RNA)
where:
Base-Base interactions energy: -142.449
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.090
local terms energy: -77.084637
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -229.722645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.722645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.722645 (E_RNA)
where:
Base-Base interactions energy: -156.389
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.002
local terms energy: -73.332278
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -22.304
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: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -219.106954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.106954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.106954 (E_RNA)
where:
Base-Base interactions energy: -146.977
where: short stacking energy: -67.352
Base-Backbone interact. energy: 1.161
local terms energy: -73.290663
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -214.026043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.026043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.026043 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.095
local terms energy: -71.055952
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -217.741183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.741183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.741183 (E_RNA)
where:
Base-Base interactions energy: -150.115
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.004
local terms energy: -67.622949
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -140.689807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.689807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.689807 (E_RNA)
where:
Base-Base interactions energy: -80.358
where: short stacking energy: -40.523
Base-Backbone interact. energy: -0.372
local terms energy: -59.960472
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -133.035797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.035797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.035797 (E_RNA)
where:
Base-Base interactions energy: -89.786
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.531
local terms energy: -42.718537
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -6.924
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: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -78.201542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201542 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.902
local terms energy: -46.032821
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -70.682436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.682436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.682436 (E_RNA)
where:
Base-Base interactions energy: -27.802
where: short stacking energy: -18.847
Base-Backbone interact. energy: -0.047
local terms energy: -42.834122
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -238.527559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.527559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.527559 (E_RNA)
where:
Base-Base interactions energy: -159.021
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.586
local terms energy: -78.920915
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.497
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: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -219.688142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.688142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.688142 (E_RNA)
where:
Base-Base interactions energy: -143.738
where: short stacking energy: -61.329
Base-Backbone interact. energy: -2.372
local terms energy: -73.578040
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -19.493
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: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -218.200858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.200858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.200858 (E_RNA)
where:
Base-Base interactions energy: -146.950
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.026
local terms energy: -71.224364
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -220.758859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.758859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.758859 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.001
local terms energy: -79.101851
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -210.362071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362071 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.009
local terms energy: -64.354176
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -203.835373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835373 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.806
local terms energy: -70.553196
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.756
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -153.351877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.351877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.351877 (E_RNA)
where:
Base-Base interactions energy: -96.898
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.212
local terms energy: -56.242012
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -142.465314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.465314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.465314 (E_RNA)
where:
Base-Base interactions energy: -90.786
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.269
local terms energy: -51.410977
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -93.722680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722680 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -20.385
Base-Backbone interact. energy: -0.265
local terms energy: -52.529815
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: 1.457
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: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -76.281422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.281422 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.469
local terms energy: -43.837311
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -233.055186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055186 (E_RNA)
where:
Base-Base interactions energy: -160.480
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.061
local terms energy: -72.514240
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -12.291
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: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -225.683856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.683856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.683856 (E_RNA)
where:
Base-Base interactions energy: -143.624
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.501
local terms energy: -81.559235
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -221.298800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298800 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.066
local terms energy: -67.622779
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -222.668932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.668932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.668932 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.123
local terms energy: -73.167118
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.152
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: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -208.485420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.485420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.485420 (E_RNA)
where:
Base-Base interactions energy: -140.649
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.268
local terms energy: -67.568269
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -206.072784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.072784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072784 (E_RNA)
where:
Base-Base interactions energy: -133.395
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.022
local terms energy: -72.655951
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -160.922025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.922025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.922025 (E_RNA)
where:
Base-Base interactions energy: -97.577
where: short stacking energy: -56.210
Base-Backbone interact. energy: 2.219
local terms energy: -65.563827
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -9.847
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -148.607173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.607173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.607173 (E_RNA)
where:
Base-Base interactions energy: -89.881
where: short stacking energy: -44.680
Base-Backbone interact. energy: -0.122
local terms energy: -58.604140
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -79.786432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.786432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.786432 (E_RNA)
where:
Base-Base interactions energy: -35.241
where: short stacking energy: -20.118
Base-Backbone interact. energy: -0.290
local terms energy: -44.255229
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: 3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -77.487204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.487204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.487204 (E_RNA)
where:
Base-Base interactions energy: -29.866
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.139
local terms energy: -47.481919
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -227.393456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.393456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.393456 (E_RNA)
where:
Base-Base interactions energy: -148.198
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.003
local terms energy: -79.192851
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -219.146223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146223 (E_RNA)
where:
Base-Base interactions energy: -146.639
where: short stacking energy: -66.628
Base-Backbone interact. energy: -0.029
local terms energy: -72.479076
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -219.567848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.567848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.567848 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -66.588
Base-Backbone interact. energy: 0.910
local terms energy: -65.224367
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -219.653503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.653503 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.200
local terms energy: -76.688777
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -209.767810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.767810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.767810 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.071
local terms energy: -68.723879
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -11.947
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: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -156.711615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.711615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.711615 (E_RNA)
where:
Base-Base interactions energy: -99.287
where: short stacking energy: -51.183
Base-Backbone interact. energy: -0.083
local terms energy: -57.341619
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -196.472941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472941 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.336
local terms energy: -60.766596
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -13.790
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -134.568092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.568092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.568092 (E_RNA)
where:
Base-Base interactions energy: -84.767
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.332
local terms energy: -49.469664
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -4.239
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -75.617433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.617433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.617433 (E_RNA)
where:
Base-Base interactions energy: -29.533
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.209
local terms energy: -45.875161
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -3.673
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: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -85.557125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557125 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -23.170
Base-Backbone interact. energy: -0.114
local terms energy: -42.281323
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -5.120
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -217.730587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.730587 (E_RNA)
where:
Base-Base interactions energy: -140.667
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.004
local terms energy: -77.059401
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -231.783290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.783290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.783290 (E_RNA)
where:
Base-Base interactions energy: -158.678
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.313
local terms energy: -72.791548
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -226.160321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.160321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.160321 (E_RNA)
where:
Base-Base interactions energy: -148.559
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.017
local terms energy: -77.584416
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -12.111
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: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -206.879003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.879003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879003 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.014
local terms energy: -70.546015
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -219.179809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.179809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.179809 (E_RNA)
where:
Base-Base interactions energy: -150.840
where: short stacking energy: -65.668
Base-Backbone interact. energy: -0.096
local terms energy: -68.243611
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -156.122758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.122758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.122758 (E_RNA)
where:
Base-Base interactions energy: -92.811
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.281
local terms energy: -63.030222
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -10.220
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -195.041820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.041820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041820 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.121
local terms energy: -69.780091
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -12.607
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: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -151.603033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.603033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.603033 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.049
local terms energy: -60.590274
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -90.140519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.140519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.140519 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.143
local terms energy: -44.444342
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -73.058862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.058862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.058862 (E_RNA)
where:
Base-Base interactions energy: -22.838
where: short stacking energy: -22.957
Base-Backbone interact. energy: -0.045
local terms energy: -50.176147
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.911239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911239 (E_RNA)
where:
Base-Base interactions energy: -149.629
where: short stacking energy: -66.591
Base-Backbone interact. energy: 0.318
local terms energy: -80.600086
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.397
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -232.023841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.023841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.023841 (E_RNA)
where:
Base-Base interactions energy: -152.855
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.006
local terms energy: -79.163195
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -218.839721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.839721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.839721 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -60.611
Base-Backbone interact. energy: -0.399
local terms energy: -67.009353
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -206.382220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.382220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.382220 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.109
local terms energy: -64.564928
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -12.088
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: 465
Temperature: 1.100000
Total energy: -202.587949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.587949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.587949 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.853
local terms energy: -61.644831
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -6.079
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: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -204.764849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.764849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.764849 (E_RNA)
where:
Base-Base interactions energy: -137.574
where: short stacking energy: -62.473
Base-Backbone interact. energy: -0.017
local terms energy: -67.173203
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -144.511536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.511536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.511536 (E_RNA)
where:
Base-Base interactions energy: -93.518
where: short stacking energy: -34.901
Base-Backbone interact. energy: -0.733
local terms energy: -50.260199
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -143.586962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.586962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.586962 (E_RNA)
where:
Base-Base interactions energy: -88.177
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.147
local terms energy: -55.262982
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.192
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: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -107.781108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.781108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.781108 (E_RNA)
where:
Base-Base interactions energy: -54.967
where: short stacking energy: -29.736
Base-Backbone interact. energy: 0.072
local terms energy: -52.886086
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -4.048
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: 465
Temperature: 1.350000
Total energy: -78.179185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.179185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.179185 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.198
local terms energy: -44.391308
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -8.614
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -233.034736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.034736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.034736 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.009
local terms energy: -75.280266
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -20.610
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: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -228.511645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.511645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.511645 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -75.136
Base-Backbone interact. energy: -0.916
local terms energy: -75.401964
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -12.220
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -220.311526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311526 (E_RNA)
where:
Base-Base interactions energy: -146.075
where: short stacking energy: -71.443
Base-Backbone interact. energy: 0.023
local terms energy: -74.259414
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -21.465
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -220.960173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.960173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.960173 (E_RNA)
where:
Base-Base interactions energy: -144.917
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.125
local terms energy: -75.918104
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -207.856593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.856593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.856593 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.465
local terms energy: -71.934883
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -183.257409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.257409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.257409 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.084
local terms energy: -65.828721
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -17.589
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: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -199.543032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543032 (E_RNA)
where:
Base-Base interactions energy: -138.002
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.048
local terms energy: -61.493914
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -141.255724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.255724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.255724 (E_RNA)
where:
Base-Base interactions energy: -88.324
where: short stacking energy: -35.919
Base-Backbone interact. energy: -0.218
local terms energy: -52.714261
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -84.725143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.725143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.725143 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.113
local terms energy: -49.769679
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -80.670945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.670945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.670945 (E_RNA)
where:
Base-Base interactions energy: -25.389
where: short stacking energy: -25.389
Base-Backbone interact. energy: 0.015
local terms energy: -55.296220
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -238.541075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.541075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.541075 (E_RNA)
where:
Base-Base interactions energy: -156.309
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.024
local terms energy: -82.208072
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -12.712
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -230.039623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.039623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.039623 (E_RNA)
where:
Base-Base interactions energy: -157.747
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.007
local terms energy: -72.285025
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -19.606
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: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -227.655666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.655666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.655666 (E_RNA)
where:
Base-Base interactions energy: -150.071
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.703
local terms energy: -76.881113
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -206.563472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.563472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.563472 (E_RNA)
where:
Base-Base interactions energy: -133.874
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.147
local terms energy: -72.542505
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -18.860
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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -215.716579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.716579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.716579 (E_RNA)
where:
Base-Base interactions energy: -141.435
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.494
local terms energy: -73.787516
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -15.409
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: 467
Temperature: 1.150000
Total energy: -180.052197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.052197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.052197 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -47.777
Base-Backbone interact. energy: -0.068
local terms energy: -60.843065
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -5.840
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: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -194.715617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.715617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.715617 (E_RNA)
where:
Base-Base interactions energy: -134.508
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.089
local terms energy: -60.118634
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -15.598
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: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -153.172420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.172420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.172420 (E_RNA)
where:
Base-Base interactions energy: -88.055
where: short stacking energy: -42.958
Base-Backbone interact. energy: -0.619
local terms energy: -64.498641
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -10.962
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: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -108.920909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.920909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.920909 (E_RNA)
where:
Base-Base interactions energy: -48.946
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.131
local terms energy: -59.844613
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -9.647
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: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -77.941989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.941989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.941989 (E_RNA)
where:
Base-Base interactions energy: -22.308
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.139
local terms energy: -55.495076
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -241.772413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772413 (E_RNA)
where:
Base-Base interactions energy: -161.026
where: short stacking energy: -74.352
Base-Backbone interact. energy: -2.322
local terms energy: -78.424495
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.997
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -230.492992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.492992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.492992 (E_RNA)
where:
Base-Base interactions energy: -160.648
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.728
local terms energy: -69.117229
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -217.502303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.502303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.502303 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -69.338
Base-Backbone interact. energy: -0.043
local terms energy: -72.662252
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -16.778
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: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -205.407548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.407548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.407548 (E_RNA)
where:
Base-Base interactions energy: -140.947
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.016
local terms energy: -64.444792
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -14.095
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: 468
Temperature: 1.100000
Total energy: -199.501403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501403 (E_RNA)
where:
Base-Base interactions energy: -126.427
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.010
local terms energy: -73.064831
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -18.241
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: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -207.944127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944127 (E_RNA)
where:
Base-Base interactions energy: -146.226
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.493
local terms energy: -61.224859
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -182.955399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.955399 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.019
local terms energy: -57.292841
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -16.378
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: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -187.416718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.416718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.416718 (E_RNA)
where:
Base-Base interactions energy: -122.919
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.553
local terms energy: -63.944526
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -3.672
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -84.862848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.862848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.862848 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.269
local terms energy: -52.338737
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -86.271602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271602 (E_RNA)
where:
Base-Base interactions energy: -39.027
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.177
local terms energy: -47.067608
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -236.643345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.643345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.643345 (E_RNA)
where:
Base-Base interactions energy: -160.425
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.006
local terms energy: -76.212482
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -22.620
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: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -226.862025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.862025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.862025 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.020
local terms energy: -72.172502
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -20.113
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: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -213.962242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.962242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.962242 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.004
local terms energy: -67.382354
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -18.328
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: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -194.639786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.639786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.639786 (E_RNA)
where:
Base-Base interactions energy: -121.380
where: short stacking energy: -57.812
Base-Backbone interact. energy: -0.611
local terms energy: -72.649554
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -211.000955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.000955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.000955 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -62.072
Base-Backbone interact. energy: -1.214
local terms energy: -61.243750
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -202.257553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.257553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.257553 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.236
local terms energy: -62.459123
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -198.958905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.958905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.958905 (E_RNA)
where:
Base-Base interactions energy: -131.008
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.069
local terms energy: -67.882144
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.305
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: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.135881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.135881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.135881 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.215
local terms energy: -51.174202
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -158.516262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.516262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.516262 (E_RNA)
where:
Base-Base interactions energy: -98.631
where: short stacking energy: -48.683
Base-Backbone interact. energy: 0.289
local terms energy: -60.173673
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -12.094
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: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -70.034955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.034955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.034955 (E_RNA)
where:
Base-Base interactions energy: -21.485
where: short stacking energy: -20.385
Base-Backbone interact. energy: 0.671
local terms energy: -49.221000
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: 0.143
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: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -245.018732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.018732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.018732 (E_RNA)
where:
Base-Base interactions energy: -166.273
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.047
local terms energy: -78.699001
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -233.898379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898379 (E_RNA)
where:
Base-Base interactions energy: -154.996
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.000
local terms energy: -78.901671
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -220.082431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.082431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.082431 (E_RNA)
where:
Base-Base interactions energy: -150.379
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.076
local terms energy: -69.627696
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -16.369
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: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -186.622568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.622568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.622568 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.384
local terms energy: -57.170467
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -206.929240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.929240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.929240 (E_RNA)
where:
Base-Base interactions energy: -127.911
where: short stacking energy: -60.724
Base-Backbone interact. energy: 0.011
local terms energy: -79.028614
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -205.554701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.554701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554701 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.027
local terms energy: -69.327539
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -186.639757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.639757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.639757 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.083
local terms energy: -59.887122
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -13.596
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: 470
Temperature: 1.250000
Total energy: -89.130270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.130270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.130270 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -18.275
Base-Backbone interact. energy: -0.038
local terms energy: -62.494840
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -5.255
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: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -146.649583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.649583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.649583 (E_RNA)
where:
Base-Base interactions energy: -92.825
where: short stacking energy: -45.571
Base-Backbone interact. energy: 1.633
local terms energy: -55.458109
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.878131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.878131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.878131 (E_RNA)
where:
Base-Base interactions energy: -27.052
where: short stacking energy: -27.052
Base-Backbone interact. energy: -0.003
local terms energy: -51.822970
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -240.037971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.037971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.037971 (E_RNA)
where:
Base-Base interactions energy: -160.136
where: short stacking energy: -74.092
Base-Backbone interact. energy: -0.842
local terms energy: -79.060469
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.057
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: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -227.498064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498064 (E_RNA)
where:
Base-Base interactions energy: -156.571
where: short stacking energy: -76.093
Base-Backbone interact. energy: -0.171
local terms energy: -70.755416
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -212.438439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.438439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.438439 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.097
local terms energy: -77.722958
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -212.510316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.510316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.510316 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -64.926
Base-Backbone interact. energy: 0.420
local terms energy: -75.979285
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -189.562308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.562308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.562308 (E_RNA)
where:
Base-Base interactions energy: -120.800
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.516
local terms energy: -68.246273
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -210.373975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.373975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.373975 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.015
local terms energy: -67.428837
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -148.668519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.668519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.668519 (E_RNA)
where:
Base-Base interactions energy: -94.497
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.106
local terms energy: -54.065550
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -142.230952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.230952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.230952 (E_RNA)
where:
Base-Base interactions energy: -85.668
where: short stacking energy: -39.187
Base-Backbone interact. energy: -0.222
local terms energy: -56.340570
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -74.197226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.197226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.197226 (E_RNA)
where:
Base-Base interactions energy: -21.957
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.119
local terms energy: -52.120875
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.142
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: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -77.928072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928072 (E_RNA)
where:
Base-Base interactions energy: -24.105
where: short stacking energy: -13.050
Base-Backbone interact. energy: -0.749
local terms energy: -53.073952
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -239.904285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.904285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.904285 (E_RNA)
where:
Base-Base interactions energy: -156.951
where: short stacking energy: -73.223
Base-Backbone interact. energy: -1.536
local terms energy: -81.417297
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -23.534
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -235.902279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.902279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.902279 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.250
local terms energy: -81.175630
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -220.997816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.997816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.997816 (E_RNA)
where:
Base-Base interactions energy: -150.333
where: short stacking energy: -66.373
Base-Backbone interact. energy: -0.011
local terms energy: -70.654443
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -203.396553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396553 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.008
local terms energy: -66.152164
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -213.332013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.332013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.332013 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.208
local terms energy: -73.121949
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -202.293179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293179 (E_RNA)
where:
Base-Base interactions energy: -130.609
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.037
local terms energy: -71.647325
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -158.569621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.569621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.569621 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -42.565
Base-Backbone interact. energy: 0.242
local terms energy: -60.370475
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -148.570205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.570205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.570205 (E_RNA)
where:
Base-Base interactions energy: -89.303
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.310
local terms energy: -58.956755
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -108.451654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.451654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.451654 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -28.953
Base-Backbone interact. energy: -0.185
local terms energy: -47.459179
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -71.998677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.998677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.998677 (E_RNA)
where:
Base-Base interactions energy: -25.064
where: short stacking energy: -25.064
Base-Backbone interact. energy: -0.341
local terms energy: -46.593538
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 1.449
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -228.924697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.924697 (E_RNA)
where:
Base-Base interactions energy: -154.093
where: short stacking energy: -74.450
Base-Backbone interact. energy: 0.158
local terms energy: -74.990001
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -236.996502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.996502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.996502 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -70.880
Base-Backbone interact. energy: -1.449
local terms energy: -80.046351
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -13.893
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: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -222.375582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.375582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.375582 (E_RNA)
where:
Base-Base interactions energy: -152.206
where: short stacking energy: -58.111
Base-Backbone interact. energy: -0.047
local terms energy: -70.123136
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -215.717598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.717598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.717598 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.121
local terms energy: -70.497822
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -202.457822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457822 (E_RNA)
where:
Base-Base interactions energy: -132.194
where: short stacking energy: -61.402
Base-Backbone interact. energy: 0.017
local terms energy: -70.280779
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -159.116418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.116418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.116418 (E_RNA)
where:
Base-Base interactions energy: -101.802
where: short stacking energy: -52.904
Base-Backbone interact. energy: 0.354
local terms energy: -57.669064
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -196.015019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.015019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.015019 (E_RNA)
where:
Base-Base interactions energy: -122.876
where: short stacking energy: -57.534
Base-Backbone interact. energy: 0.541
local terms energy: -73.679372
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -137.553675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.553675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.553675 (E_RNA)
where:
Base-Base interactions energy: -83.400
where: short stacking energy: -40.832
Base-Backbone interact. energy: 0.710
local terms energy: -54.864159
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -143.712546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.712546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.712546 (E_RNA)
where:
Base-Base interactions energy: -84.029
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.192
local terms energy: -59.490946
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -11.155
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: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -74.259603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.259603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.259603 (E_RNA)
where:
Base-Base interactions energy: -31.705
where: short stacking energy: -16.264
Base-Backbone interact. energy: 0.208
local terms energy: -42.762230
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -238.748869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.748869 (E_RNA)
where:
Base-Base interactions energy: -164.352
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.011
local terms energy: -74.386691
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -17.798
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: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -230.539705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.539705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.539705 (E_RNA)
where:
Base-Base interactions energy: -155.136
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.472
local terms energy: -74.932060
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -215.057861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.057861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.057861 (E_RNA)
where:
Base-Base interactions energy: -146.615
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.050
local terms energy: -68.392200
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.304
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: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -211.343516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.343516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.343516 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.093
local terms energy: -72.300671
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -203.796399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796399 (E_RNA)
where:
Base-Base interactions energy: -125.479
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.011
local terms energy: -78.305778
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.212
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -159.736376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.736376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.736376 (E_RNA)
where:
Base-Base interactions energy: -110.043
where: short stacking energy: -43.740
Base-Backbone interact. energy: -0.021
local terms energy: -49.672926
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -210.658937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658937 (E_RNA)
where:
Base-Base interactions energy: -144.406
where: short stacking energy: -64.941
Base-Backbone interact. energy: -1.062
local terms energy: -65.191107
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -16.612
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -135.698561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.698561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.698561 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -47.194
Base-Backbone interact. energy: 7.946
local terms energy: -50.248732
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -138.838003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.838003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.838003 (E_RNA)
where:
Base-Base interactions energy: -89.477
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.120
local terms energy: -49.240401
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -129.641445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.641445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.641445 (E_RNA)
where:
Base-Base interactions energy: -80.802
where: short stacking energy: -39.489
Base-Backbone interact. energy: 0.049
local terms energy: -48.888330
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -6.828
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: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -232.677865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.677865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.677865 (E_RNA)
where:
Base-Base interactions energy: -158.766
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.369
local terms energy: -73.542535
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.587
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: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -226.364546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.364546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.364546 (E_RNA)
where:
Base-Base interactions energy: -156.724
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.044
local terms energy: -69.596664
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -19.134
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: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -212.898920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898920 (E_RNA)
where:
Base-Base interactions energy: -141.574
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.131
local terms energy: -71.193544
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.803
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: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -224.091771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.091771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.091771 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.239
local terms energy: -80.888828
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -20.692
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: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -200.197781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.197781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.197781 (E_RNA)
where:
Base-Base interactions energy: -137.010
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.051
local terms energy: -63.135927
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -18.076
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: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -202.913997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.913997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.913997 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -59.230
Base-Backbone interact. energy: 0.477
local terms energy: -69.756223
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -139.586629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.586629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.586629 (E_RNA)
where:
Base-Base interactions energy: -85.370
where: short stacking energy: -47.470
Base-Backbone interact. energy: -0.044
local terms energy: -54.173020
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -9.816
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: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -144.735590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.735590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.735590 (E_RNA)
where:
Base-Base interactions energy: -88.609
where: short stacking energy: -47.154
Base-Backbone interact. energy: -0.139
local terms energy: -55.986997
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -74.602297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.602297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.602297 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.344
local terms energy: -47.482569
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -82.774635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774635 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -31.902
Base-Backbone interact. energy: -0.042
local terms energy: -50.830792
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -221.974777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.974777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974777 (E_RNA)
where:
Base-Base interactions energy: -140.545
where: short stacking energy: -70.559
Base-Backbone interact. energy: -0.001
local terms energy: -81.428851
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -21.513
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: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -233.396763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.396763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.396763 (E_RNA)
where:
Base-Base interactions energy: -165.415
where: short stacking energy: -74.975
Base-Backbone interact. energy: -0.114
local terms energy: -67.867591
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -210.391473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391473 (E_RNA)
where:
Base-Base interactions energy: -139.697
where: short stacking energy: -65.419
Base-Backbone interact. energy: 2.511
local terms energy: -73.205039
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.557
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: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -209.492142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492142 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.179
local terms energy: -66.914792
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -12.359
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: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -199.733294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733294 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -59.088
Base-Backbone interact. energy: 1.912
local terms energy: -62.695750
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -195.549830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.549830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.549830 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -57.912
Base-Backbone interact. energy: -1.140
local terms energy: -67.434236
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -16.763
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: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -140.922673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.922673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.922673 (E_RNA)
where:
Base-Base interactions energy: -85.426
where: short stacking energy: -37.545
Base-Backbone interact. energy: -0.821
local terms energy: -54.676121
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -131.560558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.560558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.560558 (E_RNA)
where:
Base-Base interactions energy: -81.152
where: short stacking energy: -34.604
Base-Backbone interact. energy: 0.641
local terms energy: -51.049392
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -6.169
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -78.300268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300268 (E_RNA)
where:
Base-Base interactions energy: -23.911
where: short stacking energy: -23.911
Base-Backbone interact. energy: 0.163
local terms energy: -54.552160
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -1.104
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -75.618377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.618377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.618377 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -29.352
Base-Backbone interact. energy: -0.200
local terms energy: -39.239476
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -236.485194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.485194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.485194 (E_RNA)
where:
Base-Base interactions energy: -161.884
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.096
local terms energy: -74.505894
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -229.803980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.803980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.803980 (E_RNA)
where:
Base-Base interactions energy: -162.185
where: short stacking energy: -67.800
Base-Backbone interact. energy: -1.070
local terms energy: -66.548931
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -18.262
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: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -218.461414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.461414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.461414 (E_RNA)
where:
Base-Base interactions energy: -147.355
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.039
local terms energy: -71.067479
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -19.937
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: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -216.053296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.053296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.053296 (E_RNA)
where:
Base-Base interactions energy: -149.245
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.221
local terms energy: -66.586586
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -8.197
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -17.639
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -208.067217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067217 (E_RNA)
where:
Base-Base interactions energy: -140.348
where: short stacking energy: -58.222
Base-Backbone interact. energy: -0.214
local terms energy: -67.505711
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -195.557642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.557642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.557642 (E_RNA)
where:
Base-Base interactions energy: -129.668
where: short stacking energy: -55.489
Base-Backbone interact. energy: 1.273
local terms energy: -67.163254
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -14.787
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: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -172.334696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.334696 (E_RNA)
where:
Base-Base interactions energy: -111.595
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.346
local terms energy: -60.394043
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -142.481795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.481795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.481795 (E_RNA)
where:
Base-Base interactions energy: -94.324
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.172
local terms energy: -47.985385
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -6.532
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -4.821
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: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -92.097906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.097906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.097906 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.262
local terms energy: -53.632012
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.786552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.786552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.786552 (E_RNA)
where:
Base-Base interactions energy: -29.740
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.124
local terms energy: -47.923036
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -3.281
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: 478
Temperature: 0.900000
Total energy: -224.247854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.247854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247854 (E_RNA)
where:
Base-Base interactions energy: -146.913
where: short stacking energy: -59.535
Base-Backbone interact. energy: -1.671
local terms energy: -75.663976
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -213.747682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747682 (E_RNA)
where:
Base-Base interactions energy: -136.122
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.762
local terms energy: -76.864208
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -216.108992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.108992 (E_RNA)
where:
Base-Base interactions energy: -144.880
where: short stacking energy: -61.175
Base-Backbone interact. energy: -1.160
local terms energy: -70.069187
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -221.500436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.500436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.500436 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -75.676
Base-Backbone interact. energy: -0.173
local terms energy: -70.461712
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.421
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: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -206.253453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.253453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.253453 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -61.319
Base-Backbone interact. energy: 2.139
local terms energy: -71.899206
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.485
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: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -199.537489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.537489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.537489 (E_RNA)
where:
Base-Base interactions energy: -134.810
where: short stacking energy: -53.441
Base-Backbone interact. energy: 0.376
local terms energy: -65.103744
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -188.778020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.778020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.778020 (E_RNA)
where:
Base-Base interactions energy: -116.216
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.156
local terms energy: -72.406241
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -145.816998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.816998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.816998 (E_RNA)
where:
Base-Base interactions energy: -94.854
where: short stacking energy: -44.673
Base-Backbone interact. energy: -0.228
local terms energy: -50.734425
where:
bonds (distance) C4'-P energy: -7.340
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -6.281
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: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -76.387637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.387637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.387637 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -18.476
Base-Backbone interact. energy: -0.180
local terms energy: -54.601530
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: 1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -70.917956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.917956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.917956 (E_RNA)
where:
Base-Base interactions energy: -21.270
where: short stacking energy: -21.770
Base-Backbone interact. energy: 0.639
local terms energy: -50.287149
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -221.664776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.664776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.664776 (E_RNA)
where:
Base-Base interactions energy: -140.178
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.006
local terms energy: -81.481357
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -221.023766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.023766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.023766 (E_RNA)
where:
Base-Base interactions energy: -147.085
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.002
local terms energy: -73.936378
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -219.143448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.143448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.143448 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -71.624
Base-Backbone interact. energy: -0.001
local terms energy: -76.785349
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -20.788
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: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -211.143994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.143994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143994 (E_RNA)
where:
Base-Base interactions energy: -143.364
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.002
local terms energy: -67.778253
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.393
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: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -222.509393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509393 (E_RNA)
where:
Base-Base interactions energy: -155.691
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.013
local terms energy: -66.805355
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.320
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: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -200.316434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.316434 (E_RNA)
where:
Base-Base interactions energy: -135.766
where: short stacking energy: -53.037
Base-Backbone interact. energy: 0.368
local terms energy: -64.918636
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -190.657722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.657722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.657722 (E_RNA)
where:
Base-Base interactions energy: -124.525
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.506
local terms energy: -65.626969
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.383
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: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -142.397962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.397962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.397962 (E_RNA)
where:
Base-Base interactions energy: -90.248
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.018
local terms energy: -52.132067
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -6.661
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: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -84.014667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.014667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.014667 (E_RNA)
where:
Base-Base interactions energy: -35.441
where: short stacking energy: -32.469
Base-Backbone interact. energy: -0.252
local terms energy: -48.321426
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -4.261
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: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -83.574308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.574308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.574308 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.002
local terms energy: -56.012856
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -224.844302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.844302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.844302 (E_RNA)
where:
Base-Base interactions energy: -140.827
where: short stacking energy: -63.673
Base-Backbone interact. energy: -0.609
local terms energy: -83.408259
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -216.114360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.114360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.114360 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.013
local terms energy: -75.437860
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -16.067
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: 480
Temperature: 1.000000
Total energy: -223.170067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.170067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.170067 (E_RNA)
where:
Base-Base interactions energy: -144.586
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.023
local terms energy: -78.560793
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -212.058550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.058550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.058550 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.651
local terms energy: -72.261460
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -207.121736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.121736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.121736 (E_RNA)
where:
Base-Base interactions energy: -138.376
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.120
local terms energy: -68.625411
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -206.210773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.210773 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.042
local terms energy: -66.495677
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -190.909952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.909952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.909952 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.003
local terms energy: -63.311675
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -153.295646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.295646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.295646 (E_RNA)
where:
Base-Base interactions energy: -89.553
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.448
local terms energy: -63.295074
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -10.296
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: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -96.310511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.310511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.310511 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.131
local terms energy: -60.644161
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -7.189
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: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -74.500778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.500778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.500778 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -17.895
Base-Backbone interact. energy: -0.210
local terms energy: -52.740307
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -227.527087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.527087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.527087 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -64.861
Base-Backbone interact. energy: 0.042
local terms energy: -81.544535
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -23.143
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -228.437423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.437423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.437423 (E_RNA)
where:
Base-Base interactions energy: -152.289
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.003
local terms energy: -76.144926
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.820
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: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -228.297612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.297612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.297612 (E_RNA)
where:
Base-Base interactions energy: -156.231
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.001
local terms energy: -72.065521
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -221.158290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.158290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.158290 (E_RNA)
where:
Base-Base interactions energy: -148.107
where: short stacking energy: -64.661
Base-Backbone interact. energy: -0.453
local terms energy: -72.597831
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -209.507978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.507978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.507978 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.126
local terms energy: -62.982415
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.498
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: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -196.857257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.857257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.857257 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.174
local terms energy: -73.454569
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -17.248
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -205.208272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.208272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.208272 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.008
local terms energy: -71.078535
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -147.662917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.662917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.662917 (E_RNA)
where:
Base-Base interactions energy: -84.733
where: short stacking energy: -42.828
Base-Backbone interact. energy: -1.198
local terms energy: -61.731426
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.400266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.400266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.400266 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.078
local terms energy: -57.349358
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -86.198345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198345 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -26.497
Base-Backbone interact. energy: -0.120
local terms energy: -57.744510
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -6.203
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: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -221.849347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.849347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.849347 (E_RNA)
where:
Base-Base interactions energy: -149.647
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.446
local terms energy: -71.756061
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -229.730173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.730173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.730173 (E_RNA)
where:
Base-Base interactions energy: -154.125
where: short stacking energy: -71.409
Base-Backbone interact. energy: -0.008
local terms energy: -75.596694
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -20.401
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: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -235.229532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.229532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.229532 (E_RNA)
where:
Base-Base interactions energy: -168.254
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.049
local terms energy: -66.926604
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -5.746
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: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -229.182476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.182476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.182476 (E_RNA)
where:
Base-Base interactions energy: -153.457
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.378
local terms energy: -75.347354
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -21.328
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: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -213.097854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.097854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.097854 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -58.893
Base-Backbone interact. energy: 0.840
local terms energy: -71.758008
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -16.838
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: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -199.739811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.739811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.739811 (E_RNA)
where:
Base-Base interactions energy: -129.835
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.007
local terms energy: -69.897121
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -193.332687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.332687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332687 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.745
local terms energy: -67.717934
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -151.140238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.140238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.140238 (E_RNA)
where:
Base-Base interactions energy: -94.814
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.451
local terms energy: -55.875515
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -125.568740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.568740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.568740 (E_RNA)
where:
Base-Base interactions energy: -69.466
where: short stacking energy: -26.916
Base-Backbone interact. energy: -0.033
local terms energy: -56.069105
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -5.744
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: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -73.270214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.270214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.270214 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -32.097
Base-Backbone interact. energy: -0.178
local terms energy: -40.995391
where:
bonds (distance) C4'-P energy: -4.133
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -3.686
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: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -239.936039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.936039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.936039 (E_RNA)
where:
Base-Base interactions energy: -160.051
where: short stacking energy: -70.844
Base-Backbone interact. energy: -0.389
local terms energy: -79.495900
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -18.164
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -216.207063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.207063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207063 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -63.673
Base-Backbone interact. energy: -0.498
local terms energy: -69.887526
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -207.685995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.685995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.685995 (E_RNA)
where:
Base-Base interactions energy: -133.024
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.075
local terms energy: -74.586823
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.913
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: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -212.413077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413077 (E_RNA)
where:
Base-Base interactions energy: -146.800
where: short stacking energy: -65.429
Base-Backbone interact. energy: -0.003
local terms energy: -65.609825
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -206.080179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.080179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.080179 (E_RNA)
where:
Base-Base interactions energy: -129.702
where: short stacking energy: -57.298
Base-Backbone interact. energy: 0.917
local terms energy: -77.294585
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -18.147
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: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -209.438166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438166 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.019
local terms energy: -73.896380
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.964
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: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -189.831998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831998 (E_RNA)
where:
Base-Base interactions energy: -122.164
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.060
local terms energy: -67.608289
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -13.722
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: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -130.998349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.998349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.998349 (E_RNA)
where:
Base-Base interactions energy: -68.331
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.250
local terms energy: -62.417323
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -151.767606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.767606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.767606 (E_RNA)
where:
Base-Base interactions energy: -90.707
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.235
local terms energy: -60.825578
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -12.413
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: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -71.577288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.577288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.577288 (E_RNA)
where:
Base-Base interactions energy: -12.764
where: short stacking energy: -12.764
Base-Backbone interact. energy: -0.019
local terms energy: -58.794525
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -220.666495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.666495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.666495 (E_RNA)
where:
Base-Base interactions energy: -138.112
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.101
local terms energy: -82.453644
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -218.171652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171652 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.092
local terms energy: -73.590295
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -213.327681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.327681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.327681 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.569
local terms energy: -71.748754
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -204.460629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.460629 (E_RNA)
where:
Base-Base interactions energy: -136.556
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.385
local terms energy: -67.519298
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -20.043
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -212.330756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.330756 (E_RNA)
where:
Base-Base interactions energy: -134.055
where: short stacking energy: -60.337
Base-Backbone interact. energy: 0.463
local terms energy: -78.738990
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -197.357502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.357502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.357502 (E_RNA)
where:
Base-Base interactions energy: -125.945
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.301
local terms energy: -71.110881
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -207.690620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.690620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.690620 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.103
local terms energy: -75.879915
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -16.400
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: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -77.221302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.221302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.221302 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -20.423
Base-Backbone interact. energy: 1.534
local terms energy: -46.280093
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -89.719906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719906 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -34.136
Base-Backbone interact. energy: -0.118
local terms energy: -54.331210
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -132.365177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.365177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.365177 (E_RNA)
where:
Base-Base interactions energy: -77.414
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.142
local terms energy: -54.809708
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -232.414760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414760 (E_RNA)
where:
Base-Base interactions energy: -156.683
where: short stacking energy: -66.516
Base-Backbone interact. energy: -0.022
local terms energy: -75.709144
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -227.321977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.321977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.321977 (E_RNA)
where:
Base-Base interactions energy: -160.150
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.004
local terms energy: -67.168809
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -18.477
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: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -214.190388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.190388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.190388 (E_RNA)
where:
Base-Base interactions energy: -139.925
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.001
local terms energy: -74.264272
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -224.108753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108753 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.004
local terms energy: -70.833162
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -209.829720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829720 (E_RNA)
where:
Base-Base interactions energy: -138.692
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.004
local terms energy: -71.132906
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -207.393719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.393719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.393719 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.134
local terms energy: -73.472296
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -205.187371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187371 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -49.082
Base-Backbone interact. energy: -0.000
local terms energy: -68.543416
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -5.271
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: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -83.440547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440547 (E_RNA)
where:
Base-Base interactions energy: -29.869
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.050
local terms energy: -53.520876
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -81.423260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423260 (E_RNA)
where:
Base-Base interactions energy: -29.408
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.172
local terms energy: -51.843151
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -0.077
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: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -131.924978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.924978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.924978 (E_RNA)
where:
Base-Base interactions energy: -80.971
where: short stacking energy: -27.633
Base-Backbone interact. energy: -0.288
local terms energy: -50.665985
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -234.271965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.271965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.271965 (E_RNA)
where:
Base-Base interactions energy: -157.093
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.012
local terms energy: -77.167307
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -225.878086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.878086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.878086 (E_RNA)
where:
Base-Base interactions energy: -144.477
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.300
local terms energy: -81.101786
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -13.097
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: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -226.745015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.745015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.745015 (E_RNA)
where:
Base-Base interactions energy: -153.382
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.030
local terms energy: -73.333400
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -214.783428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.783428 (E_RNA)
where:
Base-Base interactions energy: -142.593
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.080
local terms energy: -72.110332
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -217.750214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.750214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.750214 (E_RNA)
where:
Base-Base interactions energy: -141.584
where: short stacking energy: -66.487
Base-Backbone interact. energy: -1.327
local terms energy: -74.839484
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -206.211542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.211542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.211542 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.055
local terms energy: -68.283467
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -191.310337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310337 (E_RNA)
where:
Base-Base interactions energy: -129.558
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.004
local terms energy: -61.747741
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -91.273545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.273545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.273545 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.006
local terms energy: -52.952437
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -95.797201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797201 (E_RNA)
where:
Base-Base interactions energy: -39.353
where: short stacking energy: -42.240
Base-Backbone interact. energy: 0.663
local terms energy: -57.107086
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -87.064246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064246 (E_RNA)
where:
Base-Base interactions energy: -27.660
where: short stacking energy: -27.660
Base-Backbone interact. energy: -0.093
local terms energy: -59.311103
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -4.497
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -236.276952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.276952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.276952 (E_RNA)
where:
Base-Base interactions energy: -163.436
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.050
local terms energy: -72.790484
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.200
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: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -224.242422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.242422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.242422 (E_RNA)
where:
Base-Base interactions energy: -153.394
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.024
local terms energy: -70.824292
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -20.708
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: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -216.054991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.054991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.054991 (E_RNA)
where:
Base-Base interactions energy: -143.713
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.165
local terms energy: -72.176948
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -223.791865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791865 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -68.159
Base-Backbone interact. energy: 0.250
local terms energy: -73.523413
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.381
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: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -225.697003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697003 (E_RNA)
where:
Base-Base interactions energy: -149.784
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.025
local terms energy: -75.887968
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -201.160182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.160182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.160182 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.687
local terms energy: -61.211808
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -169.554116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.554116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.554116 (E_RNA)
where:
Base-Base interactions energy: -109.269
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.032
local terms energy: -60.253530
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.587
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: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -89.529496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.529496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.529496 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.237
local terms energy: -45.475511
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -80.026253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.026253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.026253 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -23.417
Base-Backbone interact. energy: 0.333
local terms energy: -50.378597
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -90.997154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997154 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.034
local terms energy: -59.310653
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -239.609458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.609458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.609458 (E_RNA)
where:
Base-Base interactions energy: -158.557
where: short stacking energy: -74.962
Base-Backbone interact. energy: -2.758
local terms energy: -78.293789
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -212.500505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.500505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.500505 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.232
local terms energy: -74.536891
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -210.524958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.524958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.524958 (E_RNA)
where:
Base-Base interactions energy: -133.541
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.089
local terms energy: -76.894209
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -211.330358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.330358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.330358 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.008
local terms energy: -73.938795
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -10.591
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: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -201.962961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.962961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.962961 (E_RNA)
where:
Base-Base interactions energy: -138.825
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.288
local terms energy: -62.850503
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -202.408509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.408509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.408509 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -55.955
Base-Backbone interact. energy: 0.333
local terms energy: -65.364405
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.381
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: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -194.593028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.593028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.593028 (E_RNA)
where:
Base-Base interactions energy: -127.787
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.232
local terms energy: -66.574138
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -93.953995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.953995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.953995 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.226
local terms energy: -58.615907
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -8.397
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: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -89.543069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.543069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.543069 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -30.558
Base-Backbone interact. energy: 1.149
local terms energy: -57.519078
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -72.021278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.021278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.021278 (E_RNA)
where:
Base-Base interactions energy: -19.152
where: short stacking energy: -19.152
Base-Backbone interact. energy: -0.073
local terms energy: -52.796405
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.953
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: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -238.839620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.839620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.839620 (E_RNA)
where:
Base-Base interactions energy: -153.104
where: short stacking energy: -69.714
Base-Backbone interact. energy: -4.271
local terms energy: -81.465578
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.493
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: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -226.758328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.758328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.758328 (E_RNA)
where:
Base-Base interactions energy: -155.972
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.001
local terms energy: -70.785719
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -209.430197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.430197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.430197 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -61.000
Base-Backbone interact. energy: -0.731
local terms energy: -74.973959
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -15.543
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -218.507738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.507738 (E_RNA)
where:
Base-Base interactions energy: -144.820
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.158
local terms energy: -73.529397
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -201.770910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.770910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.770910 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.549
local terms energy: -61.430059
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -15.242
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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -210.548106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.548106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.548106 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.017
local terms energy: -69.534894
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -8.013
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: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -196.802492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.802492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.802492 (E_RNA)
where:
Base-Base interactions energy: -135.198
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.953
local terms energy: -60.651677
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -89.048491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048491 (E_RNA)
where:
Base-Base interactions energy: -31.378
where: short stacking energy: -21.494
Base-Backbone interact. energy: -0.553
local terms energy: -57.118087
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -85.379334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379334 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.270
local terms energy: -50.294779
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -5.391
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: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -78.466558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.466558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.466558 (E_RNA)
where:
Base-Base interactions energy: -20.438
where: short stacking energy: -19.425
Base-Backbone interact. energy: -1.103
local terms energy: -56.925066
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -225.769387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.769387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.769387 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -70.980
Base-Backbone interact. energy: -0.014
local terms energy: -73.006897
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -228.259940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.259940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.259940 (E_RNA)
where:
Base-Base interactions energy: -147.478
where: short stacking energy: -65.186
Base-Backbone interact. energy: -2.359
local terms energy: -78.422694
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -12.119
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: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -223.826016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.826016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.826016 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.056
local terms energy: -77.624747
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.127
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: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -214.271791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.271791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.271791 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.670
local terms energy: -72.136516
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -16.665
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -211.658919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.658919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658919 (E_RNA)
where:
Base-Base interactions energy: -137.762
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.061
local terms energy: -73.835717
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.346
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: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -199.508031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.508031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.508031 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.183
local terms energy: -72.155139
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -18.564
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: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -197.955983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.955983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.955983 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -55.689
Base-Backbone interact. energy: -1.121
local terms energy: -64.292153
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -85.864095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.864095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.864095 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.028
local terms energy: -58.509956
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -3.824
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: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -79.201632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201632 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -20.919
Base-Backbone interact. energy: -0.094
local terms energy: -45.218853
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -80.389539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389539 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -37.878
Base-Backbone interact. energy: 0.368
local terms energy: -42.879227
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -231.921450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.921450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.921450 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.125
local terms energy: -72.340665
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -232.736572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.736572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.736572 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.070
local terms energy: -76.296997
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -12.385
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: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -218.026820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.026820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.026820 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.527
local terms energy: -75.464149
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -209.002121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.002121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.002121 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.073
local terms energy: -69.575644
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -15.019
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: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -204.338802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338802 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.006
local terms energy: -73.545728
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -202.978401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.978401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.978401 (E_RNA)
where:
Base-Base interactions energy: -135.274
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.616
local terms energy: -67.088841
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -20.087
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: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -193.647464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.647464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.647464 (E_RNA)
where:
Base-Base interactions energy: -121.240
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.262
local terms energy: -72.146059
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -9.746
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: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -94.285260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.285260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.285260 (E_RNA)
where:
Base-Base interactions energy: -39.371
where: short stacking energy: -26.724
Base-Backbone interact. energy: 0.537
local terms energy: -55.451320
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -84.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.649270 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -32.575
Base-Backbone interact. energy: -0.011
local terms energy: -50.327319
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -77.931397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.931397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.931397 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -33.386
Base-Backbone interact. energy: -0.026
local terms energy: -43.834851
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -225.498929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.498929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.498929 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.024
local terms energy: -73.394726
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -219.876289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.876289 (E_RNA)
where:
Base-Base interactions energy: -150.962
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.047
local terms energy: -68.866421
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -227.208514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.208514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.208514 (E_RNA)
where:
Base-Base interactions energy: -152.861
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.933
local terms energy: -73.414710
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.712
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: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -224.350996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.350996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.350996 (E_RNA)
where:
Base-Base interactions energy: -146.366
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.021
local terms energy: -77.963862
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -206.807293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.807293 (E_RNA)
where:
Base-Base interactions energy: -130.831
where: short stacking energy: -56.935
Base-Backbone interact. energy: -0.158
local terms energy: -75.817807
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.922
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: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -202.116969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.116969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.116969 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.754
local terms energy: -69.701475
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -10.789
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: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -191.309990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309990 (E_RNA)
where:
Base-Base interactions energy: -133.060
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.865
local terms energy: -57.384450
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -95.783924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.783924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.783924 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.205
local terms energy: -51.549077
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.719837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.719837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.719837 (E_RNA)
where:
Base-Base interactions energy: -33.741
where: short stacking energy: -19.403
Base-Backbone interact. energy: 0.378
local terms energy: -48.356372
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -79.327533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.327533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.327533 (E_RNA)
where:
Base-Base interactions energy: -29.742
where: short stacking energy: -24.296
Base-Backbone interact. energy: 0.139
local terms energy: -49.724579
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: 3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -236.706826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.706826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.706826 (E_RNA)
where:
Base-Base interactions energy: -157.213
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.804
local terms energy: -78.690016
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -233.034326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.034326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.034326 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.008
local terms energy: -75.742231
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -9.588
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: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -228.522591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.522591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.522591 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -74.348
Base-Backbone interact. energy: -0.003
local terms energy: -68.279520
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.252
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: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -209.419376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.419376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.419376 (E_RNA)
where:
Base-Base interactions energy: -142.421
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.076
local terms energy: -66.922745
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -6.597
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: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -205.368591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.368591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.368591 (E_RNA)
where:
Base-Base interactions energy: -138.542
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.075
local terms energy: -66.751551
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -202.603118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.603118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.603118 (E_RNA)
where:
Base-Base interactions energy: -123.901
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.046
local terms energy: -78.655728
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.440
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: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -206.005018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005018 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.029
local terms energy: -72.685175
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -90.980057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.980057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.980057 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.211
local terms energy: -52.214117
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -9.470
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: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -111.223723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.223723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.223723 (E_RNA)
where:
Base-Base interactions energy: -69.205
where: short stacking energy: -24.577
Base-Backbone interact. energy: -0.116
local terms energy: -41.903170
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -6.211
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -76.010965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.010965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.010965 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -24.968
Base-Backbone interact. energy: 0.103
local terms energy: -46.750624
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -240.917716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917716 (E_RNA)
where:
Base-Base interactions energy: -156.667
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.001
local terms energy: -84.249878
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -224.964092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.964092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.964092 (E_RNA)
where:
Base-Base interactions energy: -151.219
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.060
local terms energy: -73.685448
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.769
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: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -221.505721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.505721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505721 (E_RNA)
where:
Base-Base interactions energy: -149.538
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.024
local terms energy: -71.943673
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -16.836
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: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -209.949655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.949655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.949655 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.133
local terms energy: -76.539017
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -210.874116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.874116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.874116 (E_RNA)
where:
Base-Base interactions energy: -145.718
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.004
local terms energy: -65.151917
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -9.417
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -19.127
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: 494
Temperature: 1.150000
Total energy: -205.961331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.961331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.961331 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -66.796
Base-Backbone interact. energy: 0.164
local terms energy: -66.531628
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -8.842
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.451
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: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -207.481827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.481827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.481827 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.002
local terms energy: -63.298368
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -85.165352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165352 (E_RNA)
where:
Base-Base interactions energy: -35.069
where: short stacking energy: -35.169
Base-Backbone interact. energy: 0.262
local terms energy: -50.358427
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -84.196540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.196540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.196540 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.956
local terms energy: -51.730069
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -84.057113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057113 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.028
local terms energy: -46.645412
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -6.924
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: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -240.917741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917741 (E_RNA)
where:
Base-Base interactions energy: -161.511
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.001
local terms energy: -79.405999
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -218.909277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.909277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.909277 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.425
local terms energy: -70.308240
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -15.685
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: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -215.090940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.090940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.090940 (E_RNA)
where:
Base-Base interactions energy: -142.915
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.265
local terms energy: -71.911038
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -228.935784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.935784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.935784 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -72.331
Base-Backbone interact. energy: -0.990
local terms energy: -74.491560
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -209.067216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.067216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.067216 (E_RNA)
where:
Base-Base interactions energy: -138.206
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.029
local terms energy: -70.831513
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -189.644620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.644620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.644620 (E_RNA)
where:
Base-Base interactions energy: -124.017
where: short stacking energy: -52.761
Base-Backbone interact. energy: -0.143
local terms energy: -65.484231
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -200.444594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.444594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.444594 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.143
local terms energy: -67.978151
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -17.201
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: -82.373137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.373137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.373137 (E_RNA)
where:
Base-Base interactions energy: -27.686
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.965
local terms energy: -53.722286
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -76.434202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.434202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.434202 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.366
local terms energy: -41.334093
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -6.716
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: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -77.306046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306046 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -32.483
Base-Backbone interact. energy: 0.709
local terms energy: -45.532592
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -0.953
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -238.656944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.656944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.656944 (E_RNA)
where:
Base-Base interactions energy: -160.308
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.005
local terms energy: -78.344712
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -11.406
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: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -223.914358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.914358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.914358 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.034
local terms energy: -77.194840
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -229.396592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396592 (E_RNA)
where:
Base-Base interactions energy: -151.061
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.020
local terms energy: -78.315155
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -214.081715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.081715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.081715 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -59.067
Base-Backbone interact. energy: -1.248
local terms energy: -68.166721
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -205.403972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.403972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.403972 (E_RNA)
where:
Base-Base interactions energy: -137.226
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.003
local terms energy: -68.174554
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -199.244929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244929 (E_RNA)
where:
Base-Base interactions energy: -135.614
where: short stacking energy: -60.708
Base-Backbone interact. energy: 3.453
local terms energy: -67.083246
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -198.127914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.127914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.127914 (E_RNA)
where:
Base-Base interactions energy: -134.176
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.183
local terms energy: -63.768946
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -88.128759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128759 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.384
local terms energy: -55.300088
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -87.287745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287745 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.133
local terms energy: -51.689182
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -97.388621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.388621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.388621 (E_RNA)
where:
Base-Base interactions energy: -49.563
where: short stacking energy: -34.562
Base-Backbone interact. energy: 0.797
local terms energy: -48.622921
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -236.057417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.057417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.057417 (E_RNA)
where:
Base-Base interactions energy: -161.187
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.257
local terms energy: -74.614252
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.054
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: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -229.042323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.042323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.042323 (E_RNA)
where:
Base-Base interactions energy: -147.528
where: short stacking energy: -70.476
Base-Backbone interact. energy: -0.001
local terms energy: -81.513774
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -209.294062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.294062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.294062 (E_RNA)
where:
Base-Base interactions energy: -140.289
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.014
local terms energy: -68.991255
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -5.861
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: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -217.267210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.267210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267210 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.026
local terms energy: -64.312158
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -9.809
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: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -213.709833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.709833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.709833 (E_RNA)
where:
Base-Base interactions energy: -141.574
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.141
local terms energy: -71.995021
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -204.648691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.648691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.648691 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.068
local terms energy: -64.520256
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -16.189
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: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -192.157184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.157184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.157184 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -50.936
Base-Backbone interact. energy: 0.478
local terms energy: -59.149307
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -76.767654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.767654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.767654 (E_RNA)
where:
Base-Base interactions energy: -27.050
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.080
local terms energy: -49.637580
where:
bonds (distance) C4'-P energy: -6.123
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -84.215219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215219 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.089
local terms energy: -52.300153
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -81.559934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.559934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.559934 (E_RNA)
where:
Base-Base interactions energy: -36.815
where: short stacking energy: -33.527
Base-Backbone interact. energy: 0.024
local terms energy: -44.768742
where:
bonds (distance) C4'-P energy: -7.413
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -234.533121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.533121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.533121 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.004
local terms energy: -78.635068
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -229.708333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.708333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.708333 (E_RNA)
where:
Base-Base interactions energy: -148.818
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.030
local terms energy: -80.860675
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.659
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: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -214.849502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.849502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.849502 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -69.946
Base-Backbone interact. energy: -2.097
local terms energy: -68.498223
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -215.579743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.579743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.579743 (E_RNA)
where:
Base-Base interactions energy: -141.081
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.633
local terms energy: -73.865650
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.174
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: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -208.572382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.572382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.572382 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -56.525
Base-Backbone interact. energy: -0.377
local terms energy: -64.852937
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -210.249772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.249772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.249772 (E_RNA)
where:
Base-Base interactions energy: -142.361
where: short stacking energy: -64.842
Base-Backbone interact. energy: 1.689
local terms energy: -69.577481
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -14.906
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: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -201.042666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.042666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.042666 (E_RNA)
where:
Base-Base interactions energy: -136.112
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.144
local terms energy: -64.786349
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -15.936
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: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -86.754069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754069 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.085
local terms energy: -55.385641
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -79.572001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.572001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.572001 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.112
local terms energy: -45.404718
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -3.135
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: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -88.964125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964125 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -16.725
Base-Backbone interact. energy: 0.071
local terms energy: -47.770121
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -220.214273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.214273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.214273 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.005
local terms energy: -77.596480
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -221.027341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.027341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.027341 (E_RNA)
where:
Base-Base interactions energy: -147.097
where: short stacking energy: -71.206
Base-Backbone interact. energy: -0.000
local terms energy: -73.930168
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -6.494
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: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -220.735736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.735736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.735736 (E_RNA)
where:
Base-Base interactions energy: -145.538
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.040
local terms energy: -75.157261
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -221.221704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.221704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221704 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -68.644
Base-Backbone interact. energy: 1.805
local terms energy: -73.811522
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -196.717500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.717500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.717500 (E_RNA)
where:
Base-Base interactions energy: -132.523
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.060
local terms energy: -64.133879
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -205.386260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.386260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.386260 (E_RNA)
where:
Base-Base interactions energy: -137.680
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.189
local terms energy: -67.517454
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -192.993481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993481 (E_RNA)
where:
Base-Base interactions energy: -124.768
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.871
local terms energy: -67.354547
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -120.188752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.188752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.188752 (E_RNA)
where:
Base-Base interactions energy: -61.561
where: short stacking energy: -30.615
Base-Backbone interact. energy: -1.112
local terms energy: -57.515461
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -74.717153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.717153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.717153 (E_RNA)
where:
Base-Base interactions energy: -26.701
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.341
local terms energy: -47.675435
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -72.300188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.300188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.300188 (E_RNA)
where:
Base-Base interactions energy: -21.400
where: short stacking energy: -19.382
Base-Backbone interact. energy: 0.215
local terms energy: -51.115402
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: 0.518
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: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -233.507614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.507614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.507614 (E_RNA)
where:
Base-Base interactions energy: -155.681
where: short stacking energy: -66.165
Base-Backbone interact. energy: -2.793
local terms energy: -75.033563
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -213.353042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.353042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.353042 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -59.060
Base-Backbone interact. energy: -1.308
local terms energy: -70.020673
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -221.961250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.961250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.961250 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.982
local terms energy: -75.490499
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.999
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: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -210.723676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.723676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.723676 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.205
local terms energy: -76.239093
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -19.873
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: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -203.955709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.955709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.955709 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -60.569
Base-Backbone interact. energy: 0.111
local terms energy: -74.774952
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.945
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -201.505957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.505957 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.068
local terms energy: -63.785481
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -198.997740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997740 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -62.465
Base-Backbone interact. energy: 0.910
local terms energy: -64.896741
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -131.917887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.917887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.917887 (E_RNA)
where:
Base-Base interactions energy: -74.883
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.008
local terms energy: -57.026960
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -5.341
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: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -94.384639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384639 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.005
local terms energy: -59.306490
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -75.768057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768057 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -23.361
Base-Backbone interact. energy: -0.147
local terms energy: -47.759894
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -1.810
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)
out arg RESULTS//1/6-VP1-O-26c9e42a_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -233.372548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.372548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.372548 (E_RNA)
where:
Base-Base interactions energy: -159.873
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.005
local terms energy: -73.494529
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -219.398364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398364 (E_RNA)
where:
Base-Base interactions energy: -148.441
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.157
local terms energy: -70.800219
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -210.509608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.509608 (E_RNA)
where:
Base-Base interactions energy: -140.802
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.423
local terms energy: -69.285031
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -15.989
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: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -217.892346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.892346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.892346 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -64.088
Base-Backbone interact. energy: -0.002
local terms energy: -76.523236
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -201.674266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.674266 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.001
local terms energy: -72.201499
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -201.503766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.503766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.503766 (E_RNA)
where:
Base-Base interactions energy: -133.719
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.111
local terms energy: -67.673697
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -191.987308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.987308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.987308 (E_RNA)
where:
Base-Base interactions energy: -133.940
where: short stacking energy: -49.527
Base-Backbone interact. energy: -1.264
local terms energy: -56.783945
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -145.041451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.041451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.041451 (E_RNA)
where:
Base-Base interactions energy: -86.045
where: short stacking energy: -43.253
Base-Backbone interact. energy: 0.007
local terms energy: -59.003081
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -73.501803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.501803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.501803 (E_RNA)
where:
Base-Base interactions energy: -23.643
where: short stacking energy: -19.270
Base-Backbone interact. energy: -0.983
local terms energy: -48.876194
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -0.587
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: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -79.934113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.934113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.934113 (E_RNA)
where:
Base-Base interactions energy: -31.994
where: short stacking energy: -27.630
Base-Backbone interact. energy: 0.089
local terms energy: -48.028595
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -3.692
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)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 15759084
moves confirmed later: 18557428
all moves confirmed: 34316512
percent of confirmed moves: 4.289564
current total energy: -201.304359
recalc. total energy: -201.304359
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13251570
moves confirmed later: 15202988
all moves confirmed: 28454558
percent of confirmed moves: 3.556820
current total energy: -183.689828
recalc. total energy: -183.689828
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 20782825
moves confirmed later: 25129938
all moves confirmed: 45912763
percent of confirmed moves: 5.739095
current total energy: -170.592530
recalc. total energy: -170.592530
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16260374
moves confirmed later: 19171164
all moves confirmed: 35431538
percent of confirmed moves: 4.428942
current total energy: -185.724660
recalc. total energy: -185.724660
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15653975
moves confirmed later: 18377609
all moves confirmed: 34031584
percent of confirmed moves: 4.253948
current total energy: -164.497132
recalc. total energy: -164.497132
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15191548
moves confirmed later: 17770336
all moves confirmed: 32961884
percent of confirmed moves: 4.120235
current total energy: -167.233052
recalc. total energy: -167.233052
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21059069
moves confirmed later: 25528105
all moves confirmed: 46587174
percent of confirmed moves: 5.823397
current total energy: -123.520212
recalc. total energy: -123.520212
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 13396211
moves confirmed later: 15324209
all moves confirmed: 28720420
percent of confirmed moves: 3.590053
current total energy: -73.889757
recalc. total energy: -73.889757
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 16130226
moves confirmed later: 19007433
all moves confirmed: 35137659
percent of confirmed moves: 4.392207
current total energy: -36.541006
recalc. total energy: -36.541006
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 21669005
moves confirmed later: 26364801
all moves confirmed: 48033806
percent of confirmed moves: 6.004226
current total energy: -38.861286
recalc. total energy: -38.861286
Time of doing 8000000 iterations: 2622.965 seconds